data_2dlx_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 2dlx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.559 HG23 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.484 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' LYS . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 101' ' ' ASP . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.506 HD13 ' CH2' ' A' ' 119' ' ' TRP . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.402 HG22 ' CD1' ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.506 ' CH2' HD13 ' A' ' 107' ' ' ILE . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.46 ' HB3' ' CZ2' ' A' ' 119' ' ' TRP . 37.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 64.2 m-70 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLY . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.507 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.553 HG23 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 65' ' ' TRP . 2.8 m120 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ3' HD13 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.486 HD13 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.54 ' CD2' HD12 ' A' ' 135' ' ' LEU . 86.9 m-70 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.477 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.553 ' CE2' HG23 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.587 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.599 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.599 ' CZ ' HD23 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 114' ' ' GLN . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 108' ' ' LEU . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' CZ2' ' A' ' 119' ' ' TRP . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.425 ' CZ2' HG23 ' A' ' 117' ' ' VAL . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.541 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 77' ' ' HIS . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 m120 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 65' ' ' TRP . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.506 ' CZ3' HD13 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 124' ' ' VAL . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.41 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.506 HD13 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HG13 ' A' ' 131' ' ' VAL . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' CZ2' ' A' ' 81' ' ' TRP . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.541 HD21 ' CE1' ' A' ' 102' ' ' PHE . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HD21 ' A' ' 99' ' ' LEU . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.499 ' CG ' HD13 ' A' ' 99' ' ' LEU . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.442 HD11 ' CE2' ' A' ' 134' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 67' ' ' ASN . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.532 ' CD2' HG11 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 78' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 107' ' ' ILE . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.553 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.418 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 48' ' ' ASN . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 47' ' ' ILE . 31.7 m120 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.602 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 102' ' ' PHE . 2.4 p30 -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.538 HG11 ' CD2' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' HG11 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.5 HG13 ' CE2' ' A' ' 127' ' ' PHE . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.557 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' NE2' ' NE2' ' A' ' 50' ' ' GLN . 25.8 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.557 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.602 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 104' ' ' TYR . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.512 ' CG ' HD11 ' A' ' 99' ' ' LEU . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.433 HG21 ' C ' ' A' ' 104' ' ' TYR . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 119' ' ' TRP . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' A' ' 134' ' ' PHE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 107' ' ' ILE . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.676 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 10.4 m-70 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 141' ' ' LEU . 3.4 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.498 ' HE2' ' CD2' ' A' ' 78' ' ' PHE . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.469 ' ND2' HG22 ' A' ' 105' ' ' VAL . 27.4 m120 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.579 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HE2' ' A' ' 46' ' ' MET . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.579 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 90' ' ' GLY . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 89' ' ' GLU . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 93' ' ' TYR . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 97' ' ' TYR . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.456 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD2' ' OD1' ' A' ' 51' ' ' ASN . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.469 HG22 ' ND2' ' A' ' 48' ' ' ASN . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.543 HD11 ' CH2' ' A' ' 119' ' ' TRP . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.444 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.543 ' CH2' HD11 ' A' ' 107' ' ' ILE . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 119' ' ' TRP . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 135' ' ' LEU . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.423 ' CD1' HG11 ' A' ' 131' ' ' VAL . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 35' ' ' LYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CZ2' HD12 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.46 HG13 ' CE1' ' A' ' 84' ' ' TYR . 28.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.522 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.46 ' CE1' HG13 ' A' ' 52' ' ' VAL . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' LYS . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.423 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.517 ' CG ' HD13 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 122' ' ' LEU . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.563 HD12 ' CZ2' ' A' ' 44' ' ' TRP . 10.3 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 48' ' ' ASN . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 47' ' ' ILE . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CD1' HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 2.0 p-80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 104' ' ' TYR . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 101' ' ' ASP . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.466 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.56 HG22 ' CZ2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.528 HG21 ' CD1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 78' ' ' PHE . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 48' ' ' ASN . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' HG21 ' A' ' 47' ' ' ILE . 5.8 t-20 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.405 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.409 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HG2' ' C ' ' A' ' 72' ' ' ASN . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.552 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.408 ' CE2' ' HE1' ' A' ' 97' ' ' TYR . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 104' ' ' TYR . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.521 ' CG ' HD11 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 108' ' ' LEU . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.468 ' N ' HG21 ' A' ' 107' ' ' ILE . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' HD13 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 116' ' ' LEU . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CZ ' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.465 ' N ' HG21 ' A' ' 47' ' ' ILE . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 74' ' ' ILE . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 66' ' ' SER . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.46 HD11 ' CG1' ' A' ' 70' ' ' VAL . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.475 ' CD1' ' HE3' ' A' ' 43' ' ' LYS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' CZ3' ' A' ' 81' ' ' TRP . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.699 ' CE1' ' ND2' ' A' ' 51' ' ' ASN . 41.1 p-80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.483 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.561 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.414 ' C ' HG23 ' A' ' 105' ' ' VAL . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 104' ' ' TYR . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.554 HD13 ' CH2' ' A' ' 119' ' ' TRP . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.554 ' CH2' HD13 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.478 ' CG ' HD12 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.559 HD12 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.478 HD12 ' CG ' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.482 ' CG ' HD11 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.565 HD12 ' CH2' ' A' ' 119' ' ' TRP . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 114' ' ' GLN . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.413 ' C ' HD11 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.565 ' CH2' HD12 ' A' ' 107' ' ' ILE . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.52 HG22 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.482 ' HE2' ' CD2' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 48' ' ' ASN . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' HG21 ' A' ' 47' ' ' ILE . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 50' ' ' GLN . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.559 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 74' ' ' ILE . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.433 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' CG1' ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.409 ' ND1' HD23 ' A' ' 135' ' ' LEU . 91.2 m-70 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CH2' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.451 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.461 ' CE1' ' CE1' ' A' ' 97' ' ' TYR . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.452 ' N ' HD21 ' A' ' 99' ' ' LEU . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 106' ' ' SER . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.419 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.57 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.414 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD23 ' ND1' ' A' ' 77' ' ' HIS . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 11.4 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CE3' HD13 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.552 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 9.5 m-80 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 74' ' ' ILE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.465 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 70' ' ' VAL . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 72' ' ' ASN . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 50' ' ' GLN . 20.0 tp60 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.544 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' LYS . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.635 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CG ' ' OD1' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.635 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 108' ' ' LEU . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' ILE . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.422 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 20.9 p90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 141' ' ' LEU . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 78' ' ' PHE . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.468 HG12 ' CE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.428 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.428 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.514 HG13 ' CE2' ' A' ' 127' ' ' PHE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.428 ' CD1' HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CG ' HD12 ' A' ' 135' ' ' LEU . 74.1 m-70 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CZ ' HD23 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.417 ' C ' HD22 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.482 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.439 ' CD1' ' CH2' ' A' ' 119' ' ' TRP . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.458 ' CD ' HD23 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.542 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.434 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.458 HD23 ' CD ' ' A' ' 111' ' ' ARG . 7.1 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' HG21 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' H ' ' CD2' ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.6 t-20 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.737 ' CZ ' ' CE2' ' A' ' 97' ' ' TYR . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.464 ' O ' HG21 ' A' ' 94' ' ' ILE . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 106' ' ' SER . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.475 ' N ' HG11 ' A' ' 105' ' ' VAL . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.492 ' OD1' ' CZ3' ' A' ' 44' ' ' TRP . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.569 ' CZ3' HD13 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' CD1' HG22 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 138' ' ' HIS . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.478 ' CD2' ' CD1' ' A' ' 134' ' ' PHE . 46.3 m-70 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.502 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 2.3 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.495 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 2.7 m-80 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.518 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.57 ' CE1' HD11 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' LYS . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.527 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 101' ' ' ASP . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 99' ' ' LEU . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' HB3' HG22 ' A' ' 112' ' ' THR . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.507 ' CE2' ' OE1' ' A' ' 130' ' ' GLN . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CE1' HG22 ' A' ' 131' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' C ' HD13 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.433 ' HE3' ' CD2' ' A' ' 78' ' ' PHE . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.511 HG22 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' A' ' 62' ' ' ARG . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 74' ' ' ILE . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.412 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' HG13 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.489 HG13 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CE1' HG22 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.461 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.521 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 104' ' ' TYR . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.551 HG22 ' CZ2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.551 ' CZ2' HG22 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 119' ' ' TRP . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 130' ' ' GLN . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 132' ' ' THR . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 126' ' ' SER . 37.8 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.477 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 1.4 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 93' ' ' TYR . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.434 ' CE1' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.538 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.507 ' CG ' HD13 ' A' ' 99' ' ' LEU . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 106' ' ' SER . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 105' ' ' VAL . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 119' ' ' TRP . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 107' ' ' ILE . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.472 ' CH2' HD11 ' A' ' 107' ' ' ILE . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.445 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 31' ' ' PHE . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.468 ' CA ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' OE1' ' CE1' ' A' ' 84' ' ' TYR . 1.2 tm0? -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.411 HG11 ' CE2' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG13 ' CE2' ' A' ' 127' ' ' PHE . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.408 HD13 ' CE3' ' A' ' 65' ' ' TRP . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 80' ' ' PHE . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.412 ' N ' HG22 ' A' ' 79' ' ' ILE . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.563 ' CH2' HG13 ' A' ' 83' ' ' VAL . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.563 HG13 ' CH2' ' A' ' 81' ' ' TRP . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' GLY . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 99' ' ' LEU . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.441 HD11 ' CE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' CA ' ' A' ' 42' ' ' ASN . 30.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 93' ' ' TYR . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 50.1 m-80 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 84' ' ' TYR . 27.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.438 ' CE1' HD13 ' A' ' 135' ' ' LEU . 93.0 m-70 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.557 ' CD1' HG22 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.446 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 ' CH2' ' A' ' 119' ' ' TRP . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.504 ' CH2' HD11 ' A' ' 107' ' ' ILE . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 70' ' ' VAL . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' NE2' HD12 ' A' ' 122' ' ' LEU . 34.1 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 135' ' ' LEU . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 77' ' ' HIS . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 93' ' ' TYR . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.415 ' CG ' HD23 ' A' ' 135' ' ' LEU . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' ARG . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE1' HD11 ' A' ' 47' ' ' ILE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' LYS . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.459 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.436 ' CG ' HG22 ' A' ' 112' ' ' THR . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.426 ' C ' ' HD3' ' A' ' 115' ' ' LYS . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 131' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PHE . . . . . 0.508 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.508 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -61.69 -59.52 5.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 157.25 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.08 104.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 135.85 47.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -124.15 138.64 54.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.63 89.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -92.09 135.1 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.3 130.0 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -92.39 138.8 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -138.35 126.06 22.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.76 163.81 26.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -116.53 128.94 55.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.8 p -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 16' ' ' ALA . 6.2 tt -67.22 128.01 34.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -152.24 148.02 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.584 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 11.9 t0 -168.26 178.04 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 20' ' ' ARG . 4.4 pp -59.62 -42.83 93.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -38.48 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtp85 -115.66 145.1 33.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.6 pt -54.5 -32.87 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ILE . 3.7 m-20 -36.94 -40.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' A' ' 80' ' ' PHE . 20.8 tp -79.68 -53.91 6.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.402 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 23.7 mtm -70.77 106.07 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -70.04 169.5 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 154.48 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.04 48.87 2.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' NE1' ' A' ' 81' ' ' TRP . 25.7 p -130.32 147.62 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 -91.42 -44.46 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.559 HG23 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.567 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p -36.6 -41.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -76.05 114.51 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -82.91 15.28 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.61 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.99 35.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.4 -53.62 45.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -37.37 -35.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t -62.7 -52.49 63.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.437 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.484 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.477 ' CG ' HD13 ' A' ' 25' ' ' LEU . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.405 ' NE1' ' O ' ' A' ' 30' ' ' SER . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.567 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 98' ' ' LYS . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.547 HD23 ' CE2' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 101' ' ' ASP . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.506 HD13 ' CH2' ' A' ' 119' ' ' TRP . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.402 HG22 ' CD1' ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.506 ' CH2' HD13 ' A' ' 107' ' ' ILE . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.417 HG23 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.46 ' HB3' ' CZ2' ' A' ' 119' ' ' TRP . 37.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 64.2 m-70 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.79 171.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -104.69 155.55 18.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.78 -125.65 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 144' ' ' LEU . 4.5 pp -88.53 144.15 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.1 m -97.28 130.76 44.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.0 p -127.18 120.02 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.1 t -75.15 118.85 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.4 m -114.73 131.1 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.13 147.61 0.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 137.2 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.8 m -113.06 153.49 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -73.04 146.54 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -122.79 163.64 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 -165.09 32.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -130.43 102.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -121.53 158.08 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.77 97.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 HG13 ' N ' ' A' ' 9' ' ' ASP . 4.4 tp -106.83 144.42 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.45 ' N ' HG13 ' A' ' 8' ' ' ILE . 10.2 t70 -156.23 170.47 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -134.72 117.5 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -128.89 170.12 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.85 175.64 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -163.25 152.16 14.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.471 HG22 ' N ' ' A' ' 15' ' ' LEU . 24.1 m -58.97 145.24 42.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -159.55 174.62 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 124.67 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -52.26 107.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mp -55.06 148.94 12.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -97.18 -43.72 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -130.88 134.22 25.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 54.2 Cg_endo -69.75 143.72 51.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.392 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.97 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.1 5.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -58.78 -42.56 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 80' ' ' PHE . 12.6 tp -78.66 -40.57 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -73.93 117.74 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -87.76 139.67 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.1 144.88 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.58 -99.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 m -151.47 145.05 24.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 -45.73 -48.68 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.478 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' GLY . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.507 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.553 HG23 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG11 ' N ' ' A' ' 53' ' ' GLN . 12.9 p -76.76 -34.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.476 ' N ' HG11 ' A' ' 52' ' ' VAL . 9.3 mm-40 -86.44 -52.6 5.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.92 126.52 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 4.2 m-85 -81.67 -43.68 18.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.1 -39.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.18 -54.42 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 3.1 pt20 -66.24 -32.07 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 29.0 t -52.66 -33.62 47.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 65' ' ' TRP . 2.8 m120 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.486 ' CZ3' HD13 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.486 HD13 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.54 ' CD2' HD12 ' A' ' 135' ' ' LEU . 86.9 m-70 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.567 ' CD2' ' HG ' ' A' ' 25' ' ' LEU . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.477 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.478 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.553 ' CE2' HG23 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.587 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.587 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.599 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 99' ' ' LEU . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.599 ' CZ ' HD23 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 114' ' ' GLN . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.401 ' C ' HD13 ' A' ' 108' ' ' LEU . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.425 HG23 ' CZ2' ' A' ' 119' ' ' TRP . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.425 ' CZ2' HG23 ' A' ' 117' ' ' VAL . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.541 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.54 HD12 ' CD2' ' A' ' 77' ' ' HIS . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.39 159.06 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.82 125.93 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.5 137.26 3.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 107.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -114.38 163.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.2 t -96.65 -56.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.5 p -42.59 -32.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.8 t -96.73 138.18 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.92 -114.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 101.61 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.3 t -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.5 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -86.24 -60.17 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -93.41 173.88 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.47 146.85 18.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -126.76 151.11 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -119.69 168.9 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.3 -107.61 2.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 9' ' ' ASP . 6.1 tp -100.39 146.04 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -97.92 164.35 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -125.96 150.58 47.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -101.74 113.74 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -94.87 -47.31 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 m 66.03 41.11 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.421 ' C ' HD23 ' A' ' 15' ' ' LEU . 20.6 m -157.45 125.0 5.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 14' ' ' THR . 0.2 OUTLIER -146.78 122.76 10.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.56 128.77 51.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.421 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.8 p-10 -140.77 102.08 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -112.95 -37.97 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -59.3 -45.9 90.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -87.53 152.49 52.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.02 22.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.46 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 pt -116.92 10.9 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.23 -50.08 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 HD11 ' CB ' ' A' ' 80' ' ' PHE . 15.2 tp -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.9 mtm -64.46 112.09 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -138.9 115.58 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 29' ' ' GLY . 11.6 tmtt? -146.65 145.34 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 28' ' ' LYS . . . 166.3 -103.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 m -112.58 134.68 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.566 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 -55.3 -43.46 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.566 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 m120 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -85.86 -37.13 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.18 -53.08 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -118.62 157.72 26.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' CB ' ' HG2' ' A' ' 58' ' ' GLN . 3.1 m-85 -98.43 103.29 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.93 -68.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 t -51.64 -28.41 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -54.81 -34.72 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 12.1 t -73.55 -58.94 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.407 HG11 ' CD2' ' A' ' 65' ' ' TRP . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.506 ' CZ3' HD13 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' ND2' HG12 ' A' ' 124' ' ' VAL . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.506 HD13 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.472 ' CE1' HG13 ' A' ' 131' ' ' VAL . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CB ' HD11 ' A' ' 25' ' ' LEU . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.518 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG12 ' CZ2' ' A' ' 81' ' ' TRP . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.458 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.536 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.541 HD21 ' CE1' ' A' ' 102' ' ' PHE . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.471 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.541 ' CE1' HD21 ' A' ' 99' ' ' LEU . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.499 ' CG ' HD13 ' A' ' 99' ' ' LEU . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.442 HD11 ' CE2' ' A' ' 134' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.466 HG12 ' ND2' ' A' ' 67' ' ' ASN . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.532 ' CD2' HG11 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 78' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.442 ' CE2' HD11 ' A' ' 107' ' ' ILE . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.86 171.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.1 t70 62.53 32.43 16.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.3 -107.53 3.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 146' ' ' SER . 3.6 pp -112.16 156.89 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 144' ' ' LEU . 4.9 m -34.12 -58.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.471 ' N ' HD13 ' A' ' 144' ' ' LEU . 6.0 t 60.53 39.96 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -150.81 141.65 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 m -91.2 -53.71 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 58.63 116.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.6 p -140.7 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 55.3 p -84.26 -28.49 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -148.54 164.55 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.7 152.81 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -177.12 18.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -164.34 171.09 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -148.48 176.53 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 158.52 27.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 9' ' ' ASP . 5.6 tp -108.62 146.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' N ' HG13 ' A' ' 8' ' ' ILE . 3.9 p30 -124.79 169.49 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -93.42 108.28 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -79.42 -36.19 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.47 143.33 53.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -133.96 156.08 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -52.99 124.27 13.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.492 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 5.4 tp -167.84 151.99 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -66.39 147.85 52.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -95.47 -65.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 18' ' ' LEU . 10.0 mp -90.59 170.3 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 m-85 -117.73 -37.53 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -67.43 147.14 98.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.91 17.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.3 Cg_endo -69.82 0.56 5.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' PRO . 3.9 pt 35.14 32.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PRO . 17.1 m-20 -40.57 -54.42 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.58 -61.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 mtm -54.92 149.51 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 79' ' ' ILE . 26.3 m-70 -157.21 149.29 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -51.95 134.07 32.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.72 -36.96 41.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -52.89 129.6 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.553 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 -71.27 -58.14 3.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.553 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 145' ' ' SER . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 48' ' ' ASN . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.45 ' N ' HG21 ' A' ' 47' ' ' ILE . 31.7 m120 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.602 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 102' ' ' PHE . 2.4 p30 -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -72.97 -29.85 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' N ' HG21 ' A' ' 52' ' ' VAL . 4.5 mm100 -74.78 -57.84 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.72 148.44 51.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 56' ' ' ALA . 98.5 m-85 -96.39 -38.13 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.13 -66.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.79 -60.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -41.54 -59.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.26 -48.51 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.538 HG11 ' CD2' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' HG11 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.5 HG13 ' CE2' ' A' ' 127' ' ' PHE . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.412 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG23 ' CD2' ' A' ' 27' ' ' HIS . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.557 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' NE2' ' NE2' ' A' ' 50' ' ' GLN . 25.8 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.557 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.602 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.512 HD11 ' CG ' ' A' ' 104' ' ' TYR . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.512 ' CG ' HD11 ' A' ' 99' ' ' LEU . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG21 ' C ' ' A' ' 104' ' ' TYR . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 119' ' ' TRP . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' A' ' 134' ' ' PHE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 107' ' ' ILE . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.676 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 10.4 m-70 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 141' ' ' LEU . 3.4 mm? -37.43 -59.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t70 52.21 37.09 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -136.33 141.35 12.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -85.8 134.97 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.416 ' CB ' ' HB3' ' A' ' 39' ' ' GLN . 23.3 t -140.92 133.95 29.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.6 p -72.88 134.05 44.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -134.56 154.65 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t -167.48 155.29 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -161.51 66.53 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 86.88 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.5 m -143.19 172.7 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.8 m -146.26 122.81 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.24 177.39 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -164.18 175.28 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 160.57 31.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -161.67 163.73 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -146.95 165.1 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.81 92.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 mt -93.07 -46.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 13.8 m-20 -85.02 144.68 28.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 6.0 mptt -149.03 112.54 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.38 113.06 11.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -147.8 170.01 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.8 p -94.38 153.09 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 p -94.92 -60.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -144.77 111.76 5.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.5 171.09 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.578 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 23.3 t0 -104.42 178.7 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.64 -70.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' CE1' ' HB3' ' A' ' 17' ' ' ASP . 4.2 m-85 61.55 37.45 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -154.72 152.27 25.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.91 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 97.94 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -111.91 4.44 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ILE . 2.3 m-20 -37.19 -46.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.66 -56.47 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 mtm -66.9 110.67 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -108.48 123.08 48.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -123.68 138.18 54.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.73 -155.62 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -81.83 163.64 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 -74.44 -46.94 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.444 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.498 ' HE2' ' CD2' ' A' ' 78' ' ' PHE . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.469 ' ND2' HG22 ' A' ' 105' ' ' VAL . 27.4 m120 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.579 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.66 -32.23 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.72 -55.63 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.35 158.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' ALA . 7.7 t80 -107.73 -37.99 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.68 -56.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' GLN . 9.1 t -43.59 -61.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' CYS . 6.9 mm100 -36.82 -61.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t -44.17 -48.94 9.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.467 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HE2' ' A' ' 46' ' ' MET . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.579 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 90' ' ' GLY . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.402 ' H ' ' CG ' ' A' ' 89' ' ' GLU . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 93' ' ' TYR . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 97' ' ' TYR . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.456 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.549 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD2' ' OD1' ' A' ' 51' ' ' ASN . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.469 HG22 ' ND2' ' A' ' 48' ' ' ASN . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.543 HD11 ' CH2' ' A' ' 119' ' ' TRP . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.421 HD13 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.444 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.543 ' CH2' HD11 ' A' ' 107' ' ' ILE . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.417 ' C ' HD21 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 119' ' ' TRP . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 63' ' ' ASP . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 135' ' ' LEU . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.423 ' CD1' HG11 ' A' ' 131' ' ' VAL . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.84 -47.9 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.29 135.5 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.64 92.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.47 142.52 36.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.4 m -66.75 -44.4 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -107.49 175.29 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.7 p -134.38 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.1 m -126.95 175.94 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 124.46 143.44 6.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.47 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.5 m -86.27 158.78 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.9 m -79.02 -58.51 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -157.7 163.75 37.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -158.9 158.04 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.48 160.38 27.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -142.63 158.28 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -155.74 152.96 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.24 127.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.6 mt -141.66 125.79 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.54 131.47 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -124.51 120.36 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -153.12 113.16 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -145.39 140.05 27.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.6 m -137.34 124.62 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 79.0 m -156.86 128.76 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.62 146.37 53.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' HD21 ' A' ' 15' ' ' LEU . . . -167.78 159.02 11.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.49 138.96 49.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.57 120.71 21.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -111.4 -30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.78 156.4 9.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 169.23 19.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.48 7.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.12 -41.76 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.3 tp -72.78 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.23 -14.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t60 52.12 39.59 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.36 137.04 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.14 -93.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.564 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -138.14 164.05 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 -86.3 -51.39 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 35' ' ' LYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CZ2' HD12 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.413 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.507 HG22 ' CE1' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 HG13 ' CE1' ' A' ' 84' ' ' TYR . 28.3 m -52.67 -31.16 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -71.59 -65.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.4 144.63 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -91.77 -55.42 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.77 -42.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.3 t -55.33 -64.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -54.69 -33.04 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t -50.74 -39.22 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.522 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.46 ' CE1' HG13 ' A' ' 52' ' ' VAL . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.507 ' CE1' HG22 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' LYS . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.423 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.557 HD23 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.557 ' CE2' HD23 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.517 ' CG ' HD13 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.413 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 122' ' ' LEU . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.564 HG22 ' CZ ' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.563 HD12 ' CZ2' ' A' ' 44' ' ' TRP . 10.3 mp -38.33 -50.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.01 -49.48 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.6 -179.49 47.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 mp -64.35 172.55 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.75 0.309 . . . . 0.0 110.963 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.3 p -83.62 109.77 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 76.1 p -59.28 -49.45 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.1 m -67.56 165.6 16.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -144.98 167.95 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 151' ' ' SER . . . 141.44 152.61 5.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 7.84 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 149' ' ' GLY . 44.8 t -97.13 149.5 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.8 m 67.14 43.22 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -164.98 164.84 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -166.38 168.45 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 146.07 4.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -167.38 156.93 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -153.36 139.94 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.63 98.83 2.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.551 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.33 113.05 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.67 118.86 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -141.08 123.82 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -118.86 129.11 55.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.53 2.65 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -69.46 114.46 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -138.18 134.38 34.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.29 146.58 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 126.01 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -88.03 -45.99 9.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.1 mp -106.58 177.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 46.3 p90 46.7 32.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -80.03 143.75 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.11 61.78 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.623 2.215 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.421 ' C ' HG12 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.6 pt 38.79 31.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -39.22 -55.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mt -81.29 -56.64 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.4 mtm -53.08 106.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.73 108.68 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -59.22 -37.14 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 32.18 -132.59 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.05 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.28 -49.25 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 48' ' ' ASN . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' HG22 ' A' ' 47' ' ' ILE . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.55 -36.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -155.08 117.39 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -164.66 172.03 13.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -97.95 -45.74 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.35 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.7 p -62.24 -44.21 97.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 4.6 pt20 -73.72 -31.18 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 5.0 t -71.23 -36.83 71.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.447 HG12 ' CD1' ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' CD1' HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 2.0 p-80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 104' ' ' TYR . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 101' ' ' ASP . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.466 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.56 HG22 ' CZ2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.56 ' CZ2' HG22 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.528 HG21 ' CD1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.76 -39.11 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -87.65 -50.37 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 45.17 85.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 145' ' ' SER . 0.6 OUTLIER -75.22 -38.5 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.439 ' N ' ' HG ' ' A' ' 144' ' ' LEU . 24.0 p 42.56 36.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.6 p -54.38 -51.19 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.4 t -131.98 117.41 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.4 t -53.11 -48.84 67.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -171.15 87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.69 12.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 41.5 m 62.61 42.96 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.3 t -141.28 138.57 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -147.28 117.97 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -123.14 110.73 15.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 44.43 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.5 t -37.64 -48.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -146.86 132.02 18.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.89 66.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.83 160.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -137.92 106.22 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -144.58 141.24 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.65 102.02 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -141.04 122.55 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -125.94 113.93 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -155.34 125.66 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.98 -8.8 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.67 167.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -130.75 167.14 19.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.49 133.52 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.42 -58.53 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.92 152.08 61.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 163.86 36.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.15 6.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 pt -85.11 17.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -48.77 -59.87 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' CG ' ' A' ' 80' ' ' PHE . 15.5 tp -74.7 -34.36 62.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.41 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 10.9 mtp -73.19 151.2 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.0 m-70 -148.26 107.99 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -101.57 174.15 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.71 -177.74 18.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.99 147.22 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 -44.93 -48.8 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.458 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.41 ' HE3' ' CG ' ' A' ' 78' ' ' PHE . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 48' ' ' ASN . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' HG21 ' A' ' 47' ' ' ILE . 5.8 t-20 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p -44.52 -38.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -156.11 115.32 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.38 159.56 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.95 -44.33 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -35.7 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 t -65.02 -53.74 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 8.3 pt20 -60.76 -32.88 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.2 t -69.14 -31.16 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.405 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.409 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' HG2' ' C ' ' A' ' 72' ' ' ASN . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CG ' HD12 ' A' ' 25' ' ' LEU . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.552 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.552 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.408 ' CE2' ' HE1' ' A' ' 97' ' ' TYR . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD11 ' CG ' ' A' ' 104' ' ' TYR . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.532 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.521 ' CG ' HD11 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.468 HG21 ' N ' ' A' ' 108' ' ' LEU . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.468 ' N ' HG21 ' A' ' 107' ' ' ILE . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' N ' HD13 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 116' ' ' LEU . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.4 mp -55.99 170.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.91 132.56 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 97.77 99.63 2.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.2 pp -105.83 157.01 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m -66.94 -56.62 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 m -143.05 130.63 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.2 t -76.71 158.87 30.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 132.84 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -55.39 163.69 4.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.5 p -133.61 164.86 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 t -59.48 -55.36 35.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.435 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -142.57 140.14 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -65.46 -48.16 73.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 94.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -125.72 173.78 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 70.4 p -83.24 -47.55 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.0 64.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 9' ' ' ASP . 3.2 tp -93.54 -31.97 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.474 ' N ' HG22 ' A' ' 8' ' ' ILE . 31.3 t0 52.54 46.02 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.51 45.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -155.4 120.67 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mp -150.58 174.24 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -55.05 140.33 38.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -74.19 118.93 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -152.87 105.36 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.1 -67.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 53.78 32.06 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.24 134.64 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -115.32 -37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 140.38 15.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 135.53 30.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.7 Cg_endo -69.72 -1.43 8.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG13 ' N ' ' A' ' 24' ' ' ASP . 6.9 pt -39.1 -28.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 23' ' ' ILE . 5.5 t70 50.61 37.87 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 71' ' ' LYS . 4.0 mt 65.11 43.19 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.4 mtm -94.66 111.32 23.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CG ' ' CG2' ' A' ' 79' ' ' ILE . 5.8 t60 -117.77 17.35 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -72.43 142.66 48.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.13 -103.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.4 m -103.18 136.21 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -54.06 -44.94 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' HE3' ' CD1' ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.483 HG23 ' CZ ' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' N ' HG21 ' A' ' 47' ' ' ILE . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p -36.67 -40.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -68.15 -66.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -56.37 125.49 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 33.2 m-85 -84.88 -45.17 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.17 -37.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PHE . 22.0 m -58.34 -54.92 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 5.6 pt20 -62.2 -32.35 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 42.1 t -50.85 -28.55 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 ' CG1' HD11 ' A' ' 74' ' ' ILE . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.46 HD11 ' CG1' ' A' ' 70' ' ' VAL . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' CB ' HD21 ' A' ' 25' ' ' LEU . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' CG2' ' CG ' ' A' ' 27' ' ' HIS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.554 ' CZ3' HG23 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.554 HG23 ' CZ3' ' A' ' 81' ' ' TRP . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.699 ' CE1' ' ND2' ' A' ' 51' ' ' ASN . 41.1 p-80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.483 ' CZ ' HG23 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.561 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.53 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.414 ' C ' HG23 ' A' ' 105' ' ' VAL . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.414 HG23 ' C ' ' A' ' 104' ' ' TYR . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.554 HD13 ' CH2' ' A' ' 119' ' ' TRP . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.554 ' CH2' HD13 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.8 mp -53.2 175.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -88.05 -61.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.42 113.63 4.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.46 123.97 34.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -156.36 142.55 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -116.82 117.83 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -105.64 -37.68 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 m -60.2 174.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -77.85 162.22 50.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.31 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.331 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.2 m -139.9 154.6 47.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.4 t -83.46 -51.39 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -151.55 159.95 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -167.91 172.1 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.66 168.49 41.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -166.64 171.01 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -167.86 154.58 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 87.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.0 pt -131.63 137.31 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -156.97 147.04 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -157.29 156.34 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.57 125.33 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -151.18 123.23 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 m -135.64 114.22 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 p -130.75 103.6 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -126.28 159.0 34.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 19' ' ' PHE . . . -116.04 152.64 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -95.34 -56.05 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 19' ' ' PHE . 4.1 pp -95.95 -45.05 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.467 ' N ' HD12 ' A' ' 18' ' ' LEU . 44.9 m-85 -46.48 -43.95 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 20' ' ' ARG . 5.0 mmp_? -59.03 156.46 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 83.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' N ' HD13 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -58.27 -30.48 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' ILE . 6.9 t70 -35.51 -54.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 3.9 mm? -57.87 -60.57 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -53.12 137.61 33.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 11.5 t60 -105.45 139.24 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 27' ' ' HIS . 6.4 mtpm? -100.24 168.9 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.04 -105.55 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -151.54 158.87 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -50.1 -50.37 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.478 ' CG ' HD12 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.565 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.38 -23.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -93.38 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.02 103.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' ALA . 1.2 p90 -65.78 -37.93 87.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.495 ' N ' ' CD1' ' A' ' 55' ' ' PHE . . . -43.61 -28.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.0 t -72.68 -55.5 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 6.5 pt20 -62.1 -34.85 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.5 t -45.19 -53.55 8.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 56' ' ' ALA . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.559 HD12 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.478 HD12 ' CG ' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.54 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.54 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.482 ' CG ' HD11 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.565 HD12 ' CH2' ' A' ' 119' ' ' TRP . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.413 HD11 ' C ' ' A' ' 114' ' ' GLN . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.413 ' C ' HD11 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.565 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.565 ' CH2' HD12 ' A' ' 107' ' ' ILE . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.559 ' CZ ' HD12 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.52 HG22 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt -33.15 -50.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.21 -60.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 103.87 113.23 3.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.43 -56.54 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -102.65 139.06 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.2 p -130.34 164.36 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 t -135.63 176.86 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.7 t -57.67 -55.47 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.45 87.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.86 22.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -75.55 112.14 11.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.5 p -42.33 -51.53 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 62.53 42.7 8.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -85.29 172.18 11.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.32 -169.92 12.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -163.89 154.81 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -123.8 169.71 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.81 122.82 4.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mp -146.2 112.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 111.097 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -157.81 113.98 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 8.8 ptmt -145.47 106.17 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 10' ' ' LYS . 2.5 mptp? -126.68 138.84 53.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 HD11 ' N ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.97 -48.13 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.519 ' N ' HD11 ' A' ' 12' ' ' LEU . 16.3 p 44.98 39.34 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -142.25 138.33 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.68 112.39 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.89 152.28 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 20.7 m-20 -53.73 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 -50.63 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 17' ' ' ASP . 5.0 m-85 53.19 33.32 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -139.85 153.31 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.21 19.39 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 pt -104.14 17.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.78 -44.22 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.419 HD12 ' CD1' ' A' ' 80' ' ' PHE . 19.1 tp -80.95 -51.37 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.5 mtm -61.14 119.83 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -80.57 115.67 20.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -85.77 127.01 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.65 -169.99 23.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -98.41 175.23 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.828 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.57 -44.97 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.425 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.482 ' HE2' ' CD2' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 48' ' ' ASN . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.461 ' N ' HG21 ' A' ' 47' ' ' ILE . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 50' ' ' GLN . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.559 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 53' ' ' GLN . 13.3 p -57.53 -32.21 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.416 ' N ' HG12 ' A' ' 52' ' ' VAL . 6.6 mm-40 -75.37 -68.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.91 176.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLN . 27.0 m-85 -116.16 -35.2 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -35.45 -38.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -59.32 -46.17 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' PHE . 1.4 pp0? -73.14 -34.79 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.434 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 45.1 t -59.22 -35.41 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' C ' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' CG1' HD11 ' A' ' 74' ' ' ILE . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.433 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.417 HD11 ' CG1' ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.455 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.409 ' ND1' HD23 ' A' ' 135' ' ' LEU . 91.2 m-70 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.482 ' CD2' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' HD12 ' A' ' 25' ' ' LEU . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.577 ' CH2' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.451 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.461 ' CE1' ' CE1' ' A' ' 97' ' ' TYR . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.556 HD23 ' CE2' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.452 ' N ' HD21 ' A' ' 99' ' ' LEU . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 106' ' ' SER . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.419 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.57 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.57 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.414 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.415 HG21 ' C ' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.416 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD23 ' ND1' ' A' ' 77' ' ' HIS . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp -82.59 -57.52 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 52.04 47.59 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.9 -156.18 8.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 144' ' ' LEU . 2.3 pt? -52.45 142.25 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 m -138.12 107.73 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 64.6 p -68.91 -55.18 11.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.4 p -124.13 142.44 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.9 t -99.73 115.05 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -110.22 -153.11 13.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.26 13.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -83.36 -58.61 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.0 m -69.46 170.32 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -56.75 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t 64.89 42.76 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.18 143.65 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -161.49 167.03 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.98 177.78 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.76 122.09 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.57 117.95 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.88 128.12 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -141.1 103.08 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -157.78 128.67 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -150.8 162.41 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.2 t -157.65 118.7 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -164.45 150.68 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -132.84 133.18 43.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.27 167.11 14.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -52.05 151.71 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 18' ' ' LEU . 4.5 mm? -70.44 124.0 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.9 -55.16 9.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -64.0 155.14 79.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.34 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 90.7 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 pp -81.69 16.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.8 -49.24 49.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD23 ' CG ' ' A' ' 80' ' ' PHE . 4.5 mt -74.17 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.1 mtm -52.39 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -105.12 136.94 43.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -104.15 143.68 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.03 152.88 7.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -60.41 147.49 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 -42.07 -52.04 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.448 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 11.4 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.563 ' CE3' HD13 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.578 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.552 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 9.5 m-80 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -79.93 -34.51 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -79.02 -56.91 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.13 154.95 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -96.41 -38.31 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.19 -56.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.1 t -43.25 -53.69 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -52.13 -68.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m -40.04 -42.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 ' CG1' HD11 ' A' ' 74' ' ' ILE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.436 HD11 ' CG1' ' A' ' 70' ' ' VAL . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 72' ' ' ASN . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.424 ' CG ' HD23 ' A' ' 25' ' ' LEU . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.411 ' NE2' ' HB3' ' A' ' 50' ' ' GLN . 20.0 tp60 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.544 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.578 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 98' ' ' LYS . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.635 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CG ' ' OD1' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.635 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 108' ' ' LEU . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.471 ' N ' HG22 ' A' ' 107' ' ' ILE . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.513 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.477 HG23 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.477 ' CZ2' HG23 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.422 ' CE2' ' CG1' ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.563 HD13 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp -52.54 163.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.33 -29.63 69.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -50.12 -101.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 16.7 mt 51.98 42.75 30.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.2 t -96.17 132.21 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m -58.43 105.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -67.09 120.35 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 65.3 m -75.97 130.37 38.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 122.27 131.71 3.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 163.36 38.55 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.9 m -111.75 141.72 45.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.0 t -127.09 162.97 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -160.81 161.82 32.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 59.84 41.87 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.01 80.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -136.92 128.54 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -158.18 167.12 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.2 54.15 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 pt -137.52 131.46 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -151.58 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -146.47 114.66 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -147.42 139.07 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.9 mt -149.91 122.72 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -153.87 174.76 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -56.81 131.95 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -113.62 -7.99 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.93 121.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.97 -57.91 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.1 tp -111.86 126.72 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -49.27 -62.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -150.92 139.54 13.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.46 57.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.417 ' C ' HG12 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.76 -1.84 9.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.9 pt 38.31 32.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -47.71 -52.03 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.5 tp -115.59 -24.27 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.5 ttp -88.78 152.76 21.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.29 103.55 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -110.58 16.68 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.23 -166.98 2.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' THR . 15.3 m -76.33 140.42 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.9 p90 -35.18 -53.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 30' ' ' SER . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.44 ' CE3' HD12 ' A' ' 141' ' ' LEU . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.448 ' HE1' ' CD2' ' A' ' 78' ' ' PHE . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.468 HG12 ' CE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 53' ' ' GLN . 7.4 p -105.17 -31.16 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' HG13 ' A' ' 52' ' ' VAL . 87.0 mt-30 -113.56 -37.86 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.25 165.46 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -112.3 -33.03 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.52 -50.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLN . 49.0 t -59.46 -57.3 13.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -37.3 -62.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t -41.16 -52.01 3.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.428 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.514 HG13 ' CE2' ' A' ' 127' ' ' PHE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.428 ' CD1' HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.408 ' CG ' HD12 ' A' ' 135' ' ' LEU . 74.1 m-70 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CZ ' HD23 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.558 ' CZ3' HG21 ' A' ' 83' ' ' VAL . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG21 ' CZ3' ' A' ' 81' ' ' TRP . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.564 ' HG ' ' CD2' ' A' ' 104' ' ' TYR . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.472 ' N ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.417 ' C ' HD22 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.482 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.564 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.439 ' CD1' ' CH2' ' A' ' 119' ' ' TRP . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.458 ' CD ' HD23 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.542 HD23 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.434 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.458 HD23 ' CD ' ' A' ' 111' ' ' ARG . 7.1 mp -69.33 147.54 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -120.68 141.61 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -173.71 -89.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.435 ' N ' HD21 ' A' ' 144' ' ' LEU . 4.1 mm? -94.76 123.11 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -71.24 109.36 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t -115.76 109.43 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.8 t -101.15 114.1 27.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.6 t -150.18 126.25 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 90.62 112.55 1.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -83.41 110.55 18.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.2 p -85.54 -55.63 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.9 t -92.62 103.35 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 78.5 p -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -118.55 1.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -140.81 153.97 46.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -69.15 164.48 22.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 154.48 1.31 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.7 mt -88.71 -49.07 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 61.82 44.2 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -143.9 117.0 8.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -142.21 146.24 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.9 pt? -159.02 156.71 29.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -116.08 128.37 55.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -151.84 170.26 20.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -67.12 159.38 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.64 109.15 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.46 -53.8 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -131.38 142.86 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -59.69 -46.57 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -143.22 136.79 14.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.78 68.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 5.07 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -78.74 10.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 5.6 m-20 -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD22 ' NZ ' ' A' ' 71' ' ' LYS . 25.2 tp -93.06 -56.98 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtm -62.15 115.77 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -112.35 118.2 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -139.67 121.25 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.51 -78.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -145.63 177.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.552 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 -86.68 -44.83 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.566 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' N ' HG21 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.449 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.22 -28.92 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' ND2' ' A' ' 51' ' ' ASN . 4.8 pt20 -92.21 -40.29 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' ASN . 7.4 t70 -61.34 123.77 18.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 5.9 t80 -82.78 -44.24 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.2 -53.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 81.4 m -38.42 -55.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -39.15 -60.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t -42.31 -50.88 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' H ' ' CD2' ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.46 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.6 t-20 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' NZ ' HD22 ' A' ' 25' ' ' LEU . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.404 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.552 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.737 ' CZ ' ' CE2' ' A' ' 97' ' ' TYR . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.464 ' O ' HG21 ' A' ' 94' ' ' ILE . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.475 HG11 ' N ' ' A' ' 106' ' ' SER . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.475 ' N ' HG11 ' A' ' 105' ' ' VAL . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.569 HD13 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.492 ' OD1' ' CZ3' ' A' ' 44' ' ' TRP . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.569 ' CZ3' HD13 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' CD1' HG22 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.529 HG22 ' CD1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 138' ' ' HIS . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.478 ' CD2' ' CD1' ' A' ' 134' ' ' PHE . 46.3 m-70 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp -35.71 -49.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.37 166.61 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.411 ' C ' ' HG ' ' A' ' 144' ' ' LEU . . . -134.2 49.83 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.411 ' HG ' ' C ' ' A' ' 143' ' ' GLY . 10.3 mt -151.06 129.06 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 m -77.26 133.13 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.1 m -153.44 106.29 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -159.19 173.63 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -40.85 -44.31 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.86 84.59 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.4 m -74.53 165.95 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.3 p -65.64 163.36 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -152.69 147.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -122.93 159.13 28.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.45 -60.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m 54.22 42.13 31.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.57 174.59 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.83 62.75 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -136.97 108.06 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.48 140.79 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -141.72 146.67 36.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -140.84 149.55 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 HD13 ' N ' ' A' ' 13' ' ' THR . 1.3 pp -164.66 158.62 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' N ' HD13 ' A' ' 12' ' ' LEU . 26.6 m -74.37 113.66 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -116.24 -37.23 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.66 127.75 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.33 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.072 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.28 105.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' HD13 ' A' ' 18' ' ' LEU . 1.9 pp -51.98 178.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -105.83 -32.83 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -128.97 143.84 50.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.84 144.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.73 17.82 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 21' ' ' PRO . 10.8 pt -33.5 -39.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.66 -49.64 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' PRO . 22.6 tp -85.14 -32.53 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 8.8 ttp -94.02 115.39 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 28' ' ' LYS . 8.4 t-160 -61.18 168.92 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -54.94 125.14 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.74 118.71 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' CZ2' ' A' ' 81' ' ' TRP . 46.1 p -167.24 154.59 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -109.6 -37.87 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 2.3 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.509 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.495 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 2.7 m-80 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 53' ' ' GLN . 28.1 m -72.63 -28.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.423 ' N ' HG22 ' A' ' 52' ' ' VAL . 25.5 mp0 -86.7 -52.62 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -62.02 142.45 57.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 2.1 p90 -91.46 -39.53 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.55 -55.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' ALA . 7.4 t -36.97 -53.63 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -49.88 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t -45.93 -42.35 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' CD1' ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.509 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.518 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.57 ' CE1' HD11 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 98' ' ' LYS . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.527 HD23 ' CZ ' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CD1' ' O ' ' A' ' 101' ' ' ASP . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 99' ' ' LEU . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' HB3' HG22 ' A' ' 112' ' ' THR . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.479 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.42 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.507 ' CE2' ' OE1' ' A' ' 130' ' ' GLN . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CE1' HG22 ' A' ' 131' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.551 HG22 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.401 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp -41.08 -52.88 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 143' ' ' GLY . 1.6 t70 -47.8 -46.01 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.12 131.15 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 144' ' ' LEU . 4.1 mm? -92.82 -61.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.7 t -39.28 -47.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.8 m -107.51 126.44 52.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.7 t -165.75 163.63 18.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 t -77.26 133.11 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -95.89 146.86 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.8 m -45.42 -50.57 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.6 p -128.23 128.01 43.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -77.4 156.09 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -111.07 160.62 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.26 146.93 9.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -135.64 128.63 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -109.78 108.6 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.45 145.8 26.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.422 ' N ' HD13 ' A' ' 8' ' ' ILE . 5.2 mp -116.1 135.97 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.33 152.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -122.94 129.06 51.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -90.67 126.63 36.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD12 ' C ' ' A' ' 10' ' ' LYS . 3.9 mp -148.1 121.3 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 m -125.68 107.37 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 156.19 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -108.05 177.7 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.94 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -99.78 -36.02 9.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.24 136.19 42.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.94 -37.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -68.52 153.65 95.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.76 147.65 63.34 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.39 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.73 14.19 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 21' ' ' PRO . 16.8 pt -36.71 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' PRO . 38.8 t0 -60.67 -47.2 87.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 HD21 ' CG ' ' A' ' 80' ' ' PHE . 1.0 OUTLIER -57.14 -43.19 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.2 177.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -107.16 172.42 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -137.2 157.89 45.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.74 -139.25 15.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -121.01 162.11 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 -37.72 -50.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' C ' HD13 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.554 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.433 ' HE3' ' CD2' ' A' ' 78' ' ' PHE . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.511 HG22 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.416 ' CG ' ' HB2' ' A' ' 54' ' ' ASP . 7.5 p30 -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.22 -30.33 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -83.74 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' CG ' ' A' ' 51' ' ' ASN . 1.5 m-20 -66.35 157.74 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' CYS . 41.0 m-85 -117.68 -25.09 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' LEU . . . -47.02 -18.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' PHE . 1.7 m -90.76 -55.97 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -39.82 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p -45.99 -32.19 2.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 56' ' ' ALA . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG13 ' CD1' ' A' ' 74' ' ' ILE . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.412 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.468 ' CD1' HG13 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.517 ' CG ' HD21 ' A' ' 25' ' ' LEU . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' HG13 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.489 HG13 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.511 ' CE1' HG22 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.472 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.461 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.529 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.521 ' CG ' HD12 ' A' ' 99' ' ' LEU . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 104' ' ' TYR . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.422 HD13 ' CG2' ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.551 HG22 ' CZ2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.551 ' CZ2' HG22 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD13 ' CB ' ' A' ' 119' ' ' TRP . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.453 ' HB3' ' NE2' ' A' ' 130' ' ' GLN . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.577 ' CE1' HG22 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 132' ' ' THR . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 126' ' ' SER . 37.8 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.577 HG22 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.477 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 1.4 mt -157.99 161.39 38.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.63 33.06 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.25 136.96 13.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.88 157.69 43.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.2 m -162.35 155.73 20.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m -150.62 138.99 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.6 t 60.62 41.89 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.8 m -130.45 160.42 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -143.75 105.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.15 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.9 p -79.85 -41.16 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 m 52.55 40.97 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -156.5 148.26 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -158.07 157.14 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -179.91 32.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -165.67 159.0 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -142.68 166.87 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.84 175.4 23.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -140.83 105.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 111.09 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.8 170.97 19.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -73.01 117.1 14.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -109.11 -35.8 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -55.38 137.76 47.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.0 t -154.22 119.95 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 15' ' ' LEU . 27.8 m -157.5 147.75 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' N ' HG21 ' A' ' 14' ' ' THR . 12.2 tp -53.66 117.68 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -86.99 -67.82 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.633 HD11 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.27 144.13 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -118.07 -37.94 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -77.22 143.77 70.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.9 64.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 87.03 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.4 pt -53.01 -27.05 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.34 -44.31 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD11 ' CD ' ' A' ' 71' ' ' LYS . 11.3 mt -64.58 -51.76 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mtm -53.52 108.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 83.2 t60 -76.88 169.21 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 5.1 mptp? -38.58 -46.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' N ' ' HE1' ' A' ' 81' ' ' TRP . 2.3 m -136.82 129.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.3 -45.26 73.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 93' ' ' TYR . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' NE2' ' HB2' ' A' ' 57' ' ' CYS . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -38.28 -38.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.07 109.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.89 17.5 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -102.41 -32.89 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.33 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.463 ' HB2' ' NE2' ' A' ' 50' ' ' GLN . 26.7 p -50.63 -36.55 35.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 59' ' ' CYS . 2.3 pp0? -60.01 -35.84 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 3.2 t -55.34 -50.13 70.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' CD ' HD11 ' A' ' 25' ' ' LEU . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.415 ' HE1' ' N ' ' A' ' 30' ' ' SER . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.434 ' CE1' HD12 ' A' ' 47' ' ' ILE . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.538 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.542 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.461 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.507 ' CG ' HD13 ' A' ' 99' ' ' LEU . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 106' ' ' SER . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 105' ' ' VAL . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 119' ' ' TRP . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' N ' HG23 ' A' ' 107' ' ' ILE . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.425 HD12 ' CG2' ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.472 ' CH2' HD11 ' A' ' 107' ' ' ILE . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.445 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.19 171.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -48.33 -47.94 36.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.11 160.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 144' ' ' LEU . 3.8 pp -73.64 173.54 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.5 p -157.31 149.46 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.7 m -127.57 160.38 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.4 t -94.33 114.96 27.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.9 t -112.07 125.44 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.45 7.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.05 64.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.9 p -64.42 -54.56 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -125.74 143.48 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 p -152.36 167.39 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 102.1 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -93.57 -55.26 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -158.36 162.86 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 74.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.1 pt -124.82 127.44 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -147.39 112.72 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -142.66 114.95 8.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -153.15 144.92 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.33 110.29 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 14' ' ' THR . 38.5 m -160.47 157.84 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' N ' HG23 ' A' ' 13' ' ' THR . 24.5 p -42.35 -56.56 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 13' ' ' THR . 4.0 mp 59.86 46.96 10.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.03 130.09 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -64.81 104.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.46 123.5 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -40.0 -61.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -140.75 132.42 14.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.14 24.8 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.248 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 5.1 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' PRO . 4.2 pt -35.74 -34.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' PRO . 7.7 t0 51.69 38.71 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.613 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER 60.53 34.19 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.3 mtm -75.33 148.48 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.565 ' CE1' HG21 ' A' ' 79' ' ' ILE . 13.4 t-160 -118.0 -28.38 5.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 30.9 pttt 45.41 32.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.39 120.53 4.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -66.68 -178.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 -56.69 -63.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 31' ' ' PHE . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.468 ' CA ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.571 HG23 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' OE1' ' CE1' ' A' ' 84' ' ' TYR . 1.2 tm0? -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -95.87 -33.28 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.29 -49.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 32.4 t70 -70.07 156.34 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -117.95 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.08 -47.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.482 ' HB3' ' ND2' ' A' ' 51' ' ' ASN . 7.4 t -56.04 -68.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 1.1 pp0? -48.48 -30.55 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 8.1 t -54.81 -43.26 72.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.411 HG11 ' CE2' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.483 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG13 ' CE2' ' A' ' 127' ' ' PHE . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.408 HD13 ' CE3' ' A' ' 65' ' ' TRP . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.441 ' CE2' HD11 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.565 HG21 ' CE1' ' A' ' 27' ' ' HIS . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.563 ' CH2' HG13 ' A' ' 83' ' ' VAL . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.563 HG13 ' CH2' ' A' ' 81' ' ' TRP . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 90' ' ' GLY . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.538 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.555 ' CD2' HD11 ' A' ' 99' ' ' LEU . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.441 HD11 ' CE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.469 HD12 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.481 HG21 ' CD2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.468 HD12 ' CA ' ' A' ' 42' ' ' ASN . 30.4 mt -154.25 173.13 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 146.06 38.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.12 123.69 6.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.1 pp -86.34 147.68 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.7 m -98.07 -45.7 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 42.2 t -56.51 148.21 20.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -74.27 137.11 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.5 p -121.01 125.4 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -111.3 92.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.22 47.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.9 p -75.51 136.37 40.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.7 t -122.91 116.21 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -118.66 147.85 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -89.92 -44.78 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.67 142.88 13.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -64.97 162.85 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -79.77 129.8 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.87 -168.98 29.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 pt -111.66 114.34 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.68 126.05 10.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.65 -50.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -168.06 154.88 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -127.29 127.97 45.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -167.97 158.45 10.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.3 p -66.06 120.04 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.37 117.24 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.19 171.55 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.39 179.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -109.59 104.44 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -110.92 -37.98 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -111.45 143.5 28.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.75 140.94 43.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.78 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.517 HD12 ' N ' ' A' ' 24' ' ' ASP . 1.4 pp -32.02 -44.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.517 ' N ' HD12 ' A' ' 23' ' ' ILE . 18.5 t0 40.93 44.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' PHE . 1.0 OUTLIER 52.44 43.03 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 mtm -83.49 145.38 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.452 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 32.3 t-80 -131.46 174.74 9.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 37.6 tttm -52.04 114.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.11 91.79 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.6 m -157.28 129.78 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -62.74 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.557 HG22 ' CD1' ' A' ' 93' ' ' TYR . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 50.1 m-80 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 53' ' ' GLN . 27.2 m -85.23 -30.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.467 ' N ' HG21 ' A' ' 52' ' ' VAL . 4.0 pt20 -97.73 -44.27 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.52 115.12 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -77.82 7.11 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.75 54.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.6 p -56.64 -50.99 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' CYS . 6.7 mm100 -41.38 -63.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' GLN . 1.9 t -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.475 ' HA ' ' CG2' ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.438 ' CE1' HD13 ' A' ' 135' ' ' LEU . 93.0 m-70 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.442 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.557 ' CD1' HG22 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.446 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.504 HD11 ' CH2' ' A' ' 119' ' ' TRP . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.504 ' CH2' HD11 ' A' ' 107' ' ' ILE . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 70' ' ' VAL . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' NE2' HD12 ' A' ' 122' ' ' LEU . 34.1 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.413 ' CG1' HD12 ' A' ' 135' ' ' LEU . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.438 HD13 ' CE1' ' A' ' 77' ' ' HIS . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.451 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.451 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp -52.58 161.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 142.18 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 121.2 118.62 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.585 ' CD2' ' N ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.45 162.38 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.585 ' N ' ' CD2' ' A' ' 144' ' ' LEU . 96.4 p -156.86 128.48 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.6 t -66.23 145.73 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 156.44 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.6 m -48.32 -60.42 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 149.41 66.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 2.74 3.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.1 t -68.91 116.01 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -140.54 175.94 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -153.59 170.86 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -154.35 139.94 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.25 140.56 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 p -162.07 163.99 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -161.24 176.74 10.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.55 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.27 135.17 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 4.4 p30 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.54 151.03 39.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.47 147.01 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.7 pt? -154.81 127.3 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -141.46 117.04 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -156.97 151.85 25.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -139.35 135.53 33.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.8 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.89 -68.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' CD2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -107.75 156.31 19.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -98.0 -50.04 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.12 143.12 32.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.74 170.7 15.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' ASP . 38.5 pt -54.83 -13.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -33.5 -61.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 11.0 mt -65.6 -50.77 63.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.435 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 58.1 mtm -60.49 113.76 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -88.83 108.72 19.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -58.31 157.71 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.75 -142.72 13.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -138.2 176.49 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -58.71 -49.34 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.564 ' CZ3' HD13 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' CE1' ' A' ' 93' ' ' TYR . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.2 m -87.81 -22.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -95.33 -62.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.64 146.69 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -99.71 -30.68 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -37.12 -53.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.6 p -45.59 -49.43 14.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.39 -68.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t -43.08 -39.84 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' CE ' ' CD1' ' A' ' 25' ' ' LEU . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' CG ' HD23 ' A' ' 135' ' ' LEU . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' ARG . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.541 ' CE1' HD11 ' A' ' 47' ' ' ILE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 98' ' ' LYS . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.459 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.524 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.459 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.436 ' CG ' HG22 ' A' ' 112' ' ' THR . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.436 HG22 ' CG ' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.564 HD13 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.426 ' C ' ' HD3' ' A' ' 115' ' ' LYS . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CE2' HG22 ' A' ' 131' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.566 HG22 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PHE . . . . . 0.508 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.508 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' ASP . 9.0 mp -54.16 -61.85 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' LEU . 6.5 p-10 -37.08 -48.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -42.12 148.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 144' ' ' LEU . 2.7 mm? -80.07 -49.93 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -53.71 111.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -130.27 146.17 51.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 t -57.37 -61.26 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.4 t -135.69 140.92 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 95.5 125.71 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.5 30.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.1 m -92.11 124.18 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.4 t -74.12 115.27 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' HA ' HD22 ' A' ' 141' ' ' LEU . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.628 ' CG ' HG21 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.649 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.617 HG23 ' ND1' ' A' ' 77' ' ' HIS . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.617 ' ND1' HG23 ' A' ' 73' ' ' ILE . 49.9 m80 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.643 HG12 HD22 ' A' ' 99' ' ' LEU . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.997 HD12 HG21 ' A' ' 117' ' ' VAL . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.617 ' HB2' HD21 ' A' ' 122' ' ' LEU . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.628 HG21 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.584 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.592 ' NE2' ' CD2' ' A' ' 119' ' ' TRP . 36.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 42' ' ' ASN . 9.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.491 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 141' ' ' LEU . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 47' ' ' ILE . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.601 HG21 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' A' ' 102' ' ' PHE . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 HG21 ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.659 HG21 HD23 ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.58 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 127' ' ' PHE . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.58 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 135' ' ' LEU . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 94' ' ' ILE . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' HG21 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 91' ' ' GLN . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.523 ' H ' HG23 ' A' ' 94' ' ' ILE . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 122' ' ' LEU . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.541 HD12 ' CG2' ' A' ' 117' ' ' VAL . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 107' ' ' ILE . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.512 ' HE3' HD11 ' A' ' 122' ' ' LEU . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 105' ' ' VAL . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 78' ' ' PHE . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 42' ' ' ASN . 4.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 45' ' ' LEU . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 m120 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 79' ' ' ILE . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' ' 34' ' ' ALA . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 122' ' ' LEU . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.706 HG13 ' CE2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 69' ' ' ALA . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' HE2' HD13 ' A' ' 107' ' ' ILE . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' A' ' 43' ' ' LYS . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 91' ' ' GLN . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 99' ' ' LEU . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.648 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.499 HD13 ' HE2' ' A' ' 78' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.428 HG22 ' HB ' ' A' ' 107' ' ' ILE . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.772 ' HB2' HD21 ' A' ' 122' ' ' LEU . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.706 ' CE2' HG13 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' MET . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.615 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 66' ' ' SER . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.44 HG12 ' CE3' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.44 ' CE3' HG12 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 128' ' ' LEU . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.601 HD12 HG21 ' A' ' 117' ' ' VAL . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 115' ' ' LYS . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 141' ' ' LEU . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.601 HG21 HD12 ' A' ' 107' ' ' ILE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.801 HD21 HG22 ' A' ' 70' ' ' VAL . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.458 HG12 HD11 ' A' ' 135' ' ' LEU . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.705 ' CD2' ' CE1' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.458 HD11 HG12 ' A' ' 131' ' ' VAL . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 134' ' ' PHE . 8.1 m80 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 110' ' ' PRO . 3.4 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 47' ' ' ILE . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 45' ' ' LEU . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 47' ' ' ILE . 68.4 m-80 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 93' ' ' TYR . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' HB2' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG12 ' CE3' ' A' ' 65' ' ' TRP . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.465 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 70' ' ' VAL . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' ASN . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' HD21 ' A' ' 135' ' ' LEU . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' ILE . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 82' ' ' GLN . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CD2' HD11 ' A' ' 49' ' ' ILE . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.474 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.675 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.675 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 117' ' ' VAL . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.443 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 107' ' ' ILE . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.496 ' HB2' HD21 ' A' ' 122' ' ' LEU . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.512 ' C ' HD22 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 121' ' ' GLN . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.487 ' O ' HD12 ' A' ' 128' ' ' LEU . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 131' ' ' VAL . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 124' ' ' VAL . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 127' ' ' PHE . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 77' ' ' HIS . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 33' ' ' THR . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HE3' HD11 ' A' ' 79' ' ' ILE . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD2' HD11 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.489 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 47' ' ' ILE . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 74' ' ' ILE . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.611 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.665 HD11 ' HE3' ' A' ' 43' ' ' LYS . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 50' ' ' GLN . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 94' ' ' ILE . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 91' ' ' GLN . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CE2' HD21 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.579 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 115' ' ' LYS . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 122' ' ' LEU . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 119' ' ' TRP . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 128' ' ' LEU . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 124' ' ' VAL . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.608 HG21 ' CE2' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 44' ' ' TRP . 10.3 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 52' ' ' VAL . 2.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 64' ' ' VAL . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.699 ' HB3' HG21 ' A' ' 124' ' ' VAL . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.889 HG21 HD23 ' A' ' 60' ' ' LEU . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.444 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.431 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 91' ' ' GLN . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.485 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.918 HG22 HD12 ' A' ' 116' ' ' LEU . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.411 HD11 ' OH ' ' A' ' 97' ' ' TYR . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.918 HD12 HG22 ' A' ' 107' ' ' ILE . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' CH2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 63' ' ' ASP . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.887 HG21 ' CE1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.453 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CZ3' HD21 ' A' ' 116' ' ' LEU . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.649 HG21 ' CE2' ' A' ' 93' ' ' TYR . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' ND2' ' OE1' ' A' ' 82' ' ' GLN . 10.0 t30 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.589 HD11 ' HG3' ' A' ' 103' ' ' PRO . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 70' ' ' VAL . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 67' ' ' ASN . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 72' ' ' ASN . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 47' ' ' ILE . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 115' ' ' LYS . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' N ' HD11 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 108' ' ' LEU . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.662 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.561 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.496 HG13 ' CZ ' ' A' ' 78' ' ' PHE . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 141' ' ' LEU . 6.4 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD21 HD11 ' A' ' 47' ' ' ILE . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.759 HG21 ' CE2' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 HD13 ' A' ' 99' ' ' LEU . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 1.8 t-20 -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.631 ' OD2' HG21 ' A' ' 124' ' ' VAL . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' CE3' ' A' ' 65' ' ' TRP . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.41 ' CE3' HG12 ' A' ' 64' ' ' VAL . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 67' ' ' ASN . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 66' ' ' SER . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 131' ' ' VAL . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 78' ' ' PHE . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HB2' HG23 ' A' ' 74' ' ' ILE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.713 HD11 ' HE3' ' A' ' 43' ' ' LYS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 51' ' ' ASN . 8.4 p80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.759 ' CE2' HG21 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 99' ' ' LEU . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 117' ' ' VAL . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 107' ' ' ILE . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.631 HG21 ' OD2' ' A' ' 63' ' ' ASP . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 73' ' ' ILE . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 42' ' ' ASN . 6.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HZ1' ' A' ' 43' ' ' LYS . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HD2' HD13 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 108' ' ' LEU . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.604 HG21 ' CE2' ' A' ' 93' ' ' TYR . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 102' ' ' PHE . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 60' ' ' LEU . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 74' ' ' ILE . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.755 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.831 HD13 ' HD2' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.937 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 47' ' ' ILE . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 91' ' ' GLN . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.486 ' CG ' HD12 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.72 HD12 HG21 ' A' ' 117' ' ' VAL . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' OH ' ' A' ' 97' ' ' TYR . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 141' ' ' LEU . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.72 HG21 HD12 ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 62.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 108' ' ' LEU . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE2' ' CG ' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' OD1' ' CD ' ' A' ' 82' ' ' GLN . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD11 ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.62 ' HB3' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.436 ' HZ3' HD11 ' A' ' 74' ' ' ILE . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.599 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 67' ' ' ASN . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.415 HG23 ' ND1' ' A' ' 77' ' ' HIS . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 73' ' ' ILE . 40.8 m80 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 94' ' ' ILE . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 91' ' ' GLN . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.623 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.867 ' HG3' HD11 ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.654 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 114' ' ' GLN . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.641 ' O ' HD13 ' A' ' 108' ' ' LEU . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 107' ' ' ILE . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.654 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.428 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 131' ' ' VAL . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 127' ' ' PHE . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' NE2' ' A' ' 82' ' ' GLN . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.691 ' ND2' ' CG ' ' A' ' 102' ' ' PHE . 10.9 m120 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 HG21 ' A' ' 64' ' ' VAL . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.598 HG21 HD23 ' A' ' 60' ' ' LEU . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.981 HG13 ' CE2' ' A' ' 127' ' ' PHE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 77' ' ' HIS . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.586 ' ND1' HG23 ' A' ' 73' ' ' ILE . 53.1 m80 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 48' ' ' ASN . 2.0 tp-100 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 91' ' ' GLN . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.866 HD12 ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.691 ' CG ' ' ND2' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 115' ' ' LYS . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.401 ' N ' HD11 ' A' ' 116' ' ' LEU . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.474 ' CG ' HD11 ' A' ' 141' ' ' LEU . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.628 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.579 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.711 HD21 ' HD1' ' A' ' 127' ' ' PHE . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.981 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 127' ' ' PHE . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 20.9 p90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' NE1' ' HA ' ' A' ' 140' ' ' GLN . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.436 HD11 ' HB1' ' A' ' 34' ' ' ALA . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.677 HG23 ' HE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD11 ' HG3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.44 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 60' ' ' LEU . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 74' ' ' ILE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 16.4 m120 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.55 HD12 HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.677 ' HE3' HG23 ' A' ' 47' ' ' ILE . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.469 ' HA ' HD12 ' A' ' 94' ' ' ILE . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 91' ' ' GLN . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 101' ' ' ASP . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.59 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.659 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.492 ' HB ' HG22 ' A' ' 117' ' ' VAL . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.529 HD13 ' OH ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 107' ' ' ILE . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.794 ' O ' HG23 ' A' ' 131' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 127' ' ' PHE . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.443 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.405 HD21 ' HG3' ' A' ' 111' ' ' ARG . 7.1 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 141' ' ' LEU . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 47' ' ' ILE . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.81 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' HG22 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 25.9 t30 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.882 HG12 ' CE3' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.882 ' CE3' HG12 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.539 HG12 HD12 ' A' ' 74' ' ' ILE . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.81 ' CE1' HD12 ' A' ' 47' ' ' ILE . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLN . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.682 HD12 ' CB ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.682 ' CB ' HD12 ' A' ' 99' ' ' LEU . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.577 HD11 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.653 ' CG ' HD11 ' A' ' 116' ' ' LEU . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 109' ' ' ASP . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.596 HD23 ' HH2' ' A' ' 65' ' ' TRP . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 132' ' ' THR . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 128' ' ' LEU . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 3.0 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' ILE . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.638 ' ND2' ' CG ' ' A' ' 102' ' ' PHE . 5.3 m120 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HE2' ' A' ' 84' ' ' TYR . 28.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 127' ' ' PHE . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.477 HD12 HG12 ' A' ' 70' ' ' VAL . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.458 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HE2' HG12 ' A' ' 52' ' ' VAL . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 99' ' ' LEU . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 108' ' ' LEU . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.454 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.425 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.553 ' CE3' HD21 ' A' ' 122' ' ' LEU . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.553 HD21 ' CE3' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 127' ' ' PHE . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CE1' HG13 ' A' ' 70' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 132' ' ' THR . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.56 ' C ' HD12 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.498 HG21 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD23 HG11 ' A' ' 64' ' ' VAL . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 HD21 ' A' ' 128' ' ' LEU . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.453 HG23 ' ND1' ' A' ' 77' ' ' HIS . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.453 ' ND1' HG23 ' A' ' 73' ' ' ILE . 48.4 m80 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.483 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 94' ' ' ILE . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.5 ' OH ' HD22 ' A' ' 108' ' ' LEU . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.5 HD22 ' OH ' ' A' ' 97' ' ' TYR . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HA ' HD23 ' A' ' 108' ' ' LEU . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.481 HG21 ' CH2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.481 ' CH2' HG21 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.546 ' O ' HD12 ' A' ' 122' ' ' LEU . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 121' ' ' GLN . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 128' ' ' LEU . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' PHE . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD21 HG22 ' A' ' 70' ' ' VAL . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 42' ' ' ASN . 1.4 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.457 HD21 ' C ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' SER . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 127' ' ' PHE . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.422 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.515 HG23 ' ND1' ' A' ' 77' ' ' HIS . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.515 ' ND1' HG23 ' A' ' 73' ' ' ILE . 35.3 m80 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 107' ' ' ILE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 83' ' ' VAL . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.547 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 1.028 HG22 HD12 ' A' ' 116' ' ' LEU . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD21 ' OH ' ' A' ' 97' ' ' TYR . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB2' HD21 ' A' ' 116' ' ' LEU . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.028 HD12 HG22 ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 127' ' ' PHE . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 131' ' ' VAL . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 127' ' ' PHE . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.651 ' C ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 47' ' ' ILE . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.865 HG21 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.586 HD11 ' CD2' ' A' ' 93' ' ' TYR . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.707 ' NE2' ' CE1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 64' ' ' VAL . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD21 ' A' ' 128' ' ' LEU . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' VAL . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 74' ' ' ILE . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 89' ' ' GLU . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.707 ' CE1' ' NE2' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HB3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.496 ' O ' HD12 ' A' ' 94' ' ' ILE . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.717 ' HA ' HD13 ' A' ' 94' ' ' ILE . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.865 ' CE1' HG21 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.717 HD13 ' HA ' ' A' ' 91' ' ' GLN . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.707 HD13 ' HE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 107' ' ' ILE . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 122' ' ' LEU . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 119' ' ' TRP . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.757 ' CE2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 132' ' ' THR . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.757 HG21 ' CE2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 128' ' ' LEU . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 42' ' ' ASN . 30.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 108' ' ' LEU . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 HD21 ' A' ' 45' ' ' LEU . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.65 ' OD1' HG22 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.605 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.566 ' ND2' ' CD2' ' A' ' 102' ' ' PHE . 22.5 m120 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.474 HG12 ' CE1' ' A' ' 84' ' ' TYR . 27.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.677 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.413 HG23 ' ND1' ' A' ' 77' ' ' HIS . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.413 ' ND1' HG23 ' A' ' 73' ' ' ILE . 46.1 m80 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.605 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.494 ' OH ' HD13 ' A' ' 108' ' ' LEU . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.69 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.69 ' CZ ' HD11 ' A' ' 99' ' ' LEU . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.65 HG22 ' OD1' ' A' ' 48' ' ' ASN . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 117' ' ' VAL . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.576 ' HB3' HD23 ' A' ' 45' ' ' LEU . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 107' ' ' ILE . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 64' ' ' VAL . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.75 ' CD1' HD21 ' A' ' 122' ' ' LEU . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.638 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' HE2' ' A' ' 84' ' ' TYR . 35.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 124' ' ' VAL . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 74' ' ' ILE . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD12 HG12 ' A' ' 70' ' ' VAL . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.613 ' CH2' HG21 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG21 ' CH2' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.538 ' HE2' HG12 ' A' ' 52' ' ' VAL . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 94' ' ' ILE . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 96' ' ' PHE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 91' ' ' GLN . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 117' ' ' VAL . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.738 ' N ' HD13 ' A' ' 108' ' ' LEU . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 128' ' ' LEU . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 124' ' ' VAL . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PHE . . . . . 0.519 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.519 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' HIS . . . . . 0.414 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -61.69 -59.52 5.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 157.25 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.08 104.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 135.85 47.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -124.15 138.64 54.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.63 89.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -92.09 135.1 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.3 130.0 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -92.39 138.8 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -138.35 126.06 22.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.76 163.81 26.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -116.53 128.94 55.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.8 p -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 16' ' ' ALA . 6.2 tt -67.22 128.01 34.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' N ' HD23 ' A' ' 15' ' ' LEU . . . -152.24 148.02 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.597 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 11.9 t0 -168.26 178.04 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 19' ' ' PHE . 4.4 pp -59.62 -42.83 93.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.666 ' N ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -38.48 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtp85 -115.66 145.1 33.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 39.6 pt -54.5 -32.87 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ILE . 3.7 m-20 -36.94 -40.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD22 HH21 ' A' ' 75' ' ' ARG . 20.8 tp -79.68 -53.91 6.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 23.7 mtm -70.77 106.07 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -70.04 169.5 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 154.48 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.04 48.87 2.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' NE1' ' A' ' 81' ' ' TRP . 25.7 p -130.32 147.62 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 -91.42 -44.46 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' HA ' HD22 ' A' ' 141' ' ' LEU . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p -36.6 -41.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -76.05 114.51 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -82.91 15.28 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.61 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.99 35.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.4 -53.62 45.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.37 -35.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t -62.7 -52.49 63.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.628 ' CG ' HG21 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.649 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.617 HG23 ' ND1' ' A' ' 77' ' ' HIS . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.554 HH21 HD22 ' A' ' 25' ' ' LEU . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.617 ' ND1' HG23 ' A' ' 73' ' ' ILE . 49.9 m80 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.405 ' NE1' ' O ' ' A' ' 30' ' ' SER . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.643 HG12 HD22 ' A' ' 99' ' ' LEU . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.419 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.997 HD12 HG21 ' A' ' 117' ' ' VAL . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.617 ' HB2' HD21 ' A' ' 122' ' ' LEU . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.628 HG21 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.584 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.592 ' NE2' ' CD2' ' A' ' 119' ' ' TRP . 36.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 42' ' ' ASN . 9.5 mp -55.79 171.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -104.69 155.55 18.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.78 -125.65 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 144' ' ' LEU . 4.5 pp -88.53 144.15 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.1 m -97.28 130.76 44.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.0 p -127.18 120.02 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.1 t -75.15 118.85 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.4 m -114.73 131.1 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.13 147.61 0.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 137.2 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.8 m -113.06 153.49 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -73.04 146.54 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -122.79 163.64 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 -165.09 32.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -130.43 102.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -121.53 158.08 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.77 97.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 9' ' ' ASP . 4.4 tp -106.83 144.42 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' N ' HG13 ' A' ' 8' ' ' ILE . 10.2 t70 -156.23 170.47 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -134.72 117.5 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -128.89 170.12 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.85 175.64 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -163.25 152.16 14.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -58.97 145.24 42.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -159.55 174.62 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 124.67 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -52.26 107.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mp -55.06 148.94 12.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -97.18 -43.72 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -130.88 134.22 25.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 54.2 Cg_endo -69.75 143.72 51.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.392 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.97 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.1 5.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -58.78 -42.56 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 80' ' ' PHE . 12.6 tp -78.66 -40.57 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -73.93 117.74 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -87.76 139.67 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.1 144.88 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.58 -99.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 m -151.47 145.05 24.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.491 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 -45.73 -48.68 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 141' ' ' LEU . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 47' ' ' ILE . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.601 HG21 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' A' ' 102' ' ' PHE . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -76.76 -34.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -86.44 -52.6 5.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.92 126.52 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 4.2 m-85 -81.67 -43.68 18.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.1 -39.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.18 -54.42 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 3.1 pt20 -66.24 -32.07 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 29.0 t -52.66 -33.62 47.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 HG21 ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.659 HG21 HD23 ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.58 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 127' ' ' PHE . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.58 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 135' ' ' LEU . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CD2' ' HG ' ' A' ' 25' ' ' LEU . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 94' ' ' ILE . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' HG21 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 91' ' ' GLN . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.523 ' H ' HG23 ' A' ' 94' ' ' ILE . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 122' ' ' LEU . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.541 HD12 ' CG2' ' A' ' 117' ' ' VAL . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 107' ' ' ILE . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.512 ' HE3' HD11 ' A' ' 122' ' ' LEU . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 105' ' ' VAL . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 78' ' ' PHE . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 42' ' ' ASN . 4.9 mp -59.39 159.06 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.82 125.93 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.5 137.26 3.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 107.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -114.38 163.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.2 t -96.65 -56.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.5 p -42.59 -32.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.8 t -96.73 138.18 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.92 -114.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 101.61 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.3 t -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.5 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -86.24 -60.17 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -93.41 173.88 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.47 146.85 18.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -126.76 151.11 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -119.69 168.9 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.3 -107.61 2.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 9' ' ' ASP . 6.1 tp -100.39 146.04 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -97.92 164.35 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -125.96 150.58 47.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -101.74 113.74 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -94.87 -47.31 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 13' ' ' THR . 18.2 m 66.03 41.11 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.468 ' C ' HD23 ' A' ' 15' ' ' LEU . 20.6 m -157.45 125.0 5.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -146.78 122.76 10.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.56 128.77 51.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.8 p-10 -140.77 102.08 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -112.95 -37.97 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -59.3 -45.9 90.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -87.53 152.49 52.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.02 22.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.46 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 pt -116.92 10.9 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.23 -50.08 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 tp -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.9 mtm -64.46 112.09 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -138.9 115.58 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 29' ' ' GLY . 11.6 tmtt? -146.65 145.34 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 28' ' ' LYS . . . 166.3 -103.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 m -112.58 134.68 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 -55.3 -43.46 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 45' ' ' LEU . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 79' ' ' ILE . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' ' 34' ' ' ALA . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 54' ' ' ASP . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -85.86 -37.13 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.18 -53.08 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB2' ' ND2' ' A' ' 51' ' ' ASN . 15.9 m-20 -118.62 157.72 26.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.484 ' CB ' ' HG2' ' A' ' 58' ' ' GLN . 3.1 m-85 -98.43 103.29 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.93 -68.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 t -51.64 -28.41 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -54.81 -34.72 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 t -73.55 -58.94 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 122' ' ' LEU . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.706 HG13 ' CE2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 69' ' ' ALA . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' HE2' HD13 ' A' ' 107' ' ' ILE . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' A' ' 43' ' ' LYS . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 91' ' ' GLN . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 99' ' ' LEU . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.648 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.499 HD13 ' HE2' ' A' ' 78' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.428 HG22 ' HB ' ' A' ' 107' ' ' ILE . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.772 ' HB2' HD21 ' A' ' 122' ' ' LEU . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.706 ' CE2' HG13 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.86 171.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.1 t70 62.53 32.43 16.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.3 -107.53 3.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 146' ' ' SER . 3.6 pp -112.16 156.89 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 144' ' ' LEU . 4.9 m -34.12 -58.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.491 ' HB2' HD12 ' A' ' 144' ' ' LEU . 6.0 t 60.53 39.96 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -150.81 141.65 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 m -91.2 -53.71 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 58.63 116.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.6 p -140.7 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 55.3 p -84.26 -28.49 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -148.54 164.55 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.7 152.81 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -177.12 18.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -164.34 171.09 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -148.48 176.53 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 158.52 27.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 9' ' ' ASP . 5.6 tp -108.62 146.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' N ' HG13 ' A' ' 8' ' ' ILE . 3.9 p30 -124.79 169.49 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -93.42 108.28 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -79.42 -36.19 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.47 143.33 53.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -133.96 156.08 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -52.99 124.27 13.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 5.4 tp -167.84 151.99 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -66.39 147.85 52.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -95.47 -65.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.59 170.3 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 m-85 -117.73 -37.53 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -67.43 147.14 98.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.91 17.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.3 Cg_endo -69.82 0.56 5.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' PRO . 3.9 pt 35.14 32.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PRO . 17.1 m-20 -40.57 -54.42 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 71' ' ' LYS . 11.8 mt -85.58 -61.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 mtm -54.92 149.51 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -157.21 149.29 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HE2' HG21 ' A' ' 33' ' ' THR . 14.1 ttpt -51.95 134.07 32.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.72 -36.96 41.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -52.89 129.6 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 -71.27 -58.14 3.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.488 HG21 ' HE2' ' A' ' 28' ' ' LYS . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 145' ' ' SER . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' MET . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.615 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 102' ' ' PHE . 2.4 p30 -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG23 ' OE1' ' A' ' 53' ' ' GLN . 27.7 m -72.97 -29.85 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.623 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.5 mm100 -74.78 -57.84 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.72 148.44 51.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 56' ' ' ALA . 98.5 m-85 -96.39 -38.13 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.13 -66.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.79 -60.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -41.54 -59.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.26 -48.51 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 66' ' ' SER . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.44 HG12 ' CE3' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.44 ' CE3' HG12 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 128' ' ' LEU . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HB3' HD11 ' A' ' 25' ' ' LEU . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.601 HD12 HG21 ' A' ' 117' ' ' VAL . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 115' ' ' LYS . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 141' ' ' LEU . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.601 HG21 HD12 ' A' ' 107' ' ' ILE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.801 HD21 HG22 ' A' ' 70' ' ' VAL . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.458 HG12 HD11 ' A' ' 135' ' ' LEU . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.705 ' CD2' ' CE1' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.458 HD11 HG12 ' A' ' 131' ' ' VAL . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.705 ' CE1' ' CD2' ' A' ' 134' ' ' PHE . 8.1 m80 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 110' ' ' PRO . 3.4 mm? -37.43 -59.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t70 52.21 37.09 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -136.33 141.35 12.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 144' ' ' LEU . 2.4 pt? -85.8 134.97 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 39' ' ' GLN . 23.3 t -140.92 133.95 29.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.6 p -72.88 134.05 44.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -134.56 154.65 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t -167.48 155.29 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -161.51 66.53 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 86.88 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.5 m -143.19 172.7 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.8 m -146.26 122.81 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.24 177.39 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -164.18 175.28 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 160.57 31.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -161.67 163.73 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -146.95 165.1 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.81 92.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 mt -93.07 -46.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 13.8 m-20 -85.02 144.68 28.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 6.0 mptt -149.03 112.54 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.38 113.06 11.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -147.8 170.01 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.8 p -94.38 153.09 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 p -94.92 -60.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -144.77 111.76 5.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.5 171.09 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.593 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 23.3 t0 -104.42 178.7 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.64 -70.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 17' ' ' ASP . 4.2 m-85 61.55 37.45 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -154.72 152.27 25.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.91 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 97.94 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -111.91 4.44 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ILE . 2.3 m-20 -37.19 -46.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.66 -56.47 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 mtm -66.9 110.67 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -108.48 123.08 48.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -123.68 138.18 54.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.73 -155.62 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -81.83 163.64 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 -74.44 -46.94 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 47' ' ' ILE . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 45' ' ' LEU . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 47' ' ' ILE . 68.4 m-80 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 93' ' ' TYR . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.66 -32.23 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.72 -55.63 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.35 158.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' ALA . 7.7 t80 -107.73 -37.99 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.68 -56.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' GLN . 9.1 t -43.59 -61.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' CYS . 30.1 mm-40 -36.82 -61.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t -44.17 -48.94 9.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' HB2' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG12 ' CE3' ' A' ' 65' ' ' TRP . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.465 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 70' ' ' VAL . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' ASN . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' HD21 ' A' ' 135' ' ' LEU . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' ILE . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 82' ' ' GLN . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CD2' HD11 ' A' ' 49' ' ' ILE . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.474 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.675 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.675 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 117' ' ' VAL . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.443 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 107' ' ' ILE . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.496 ' HB2' HD21 ' A' ' 122' ' ' LEU . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.512 ' C ' HD22 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 121' ' ' GLN . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.487 ' O ' HD12 ' A' ' 128' ' ' LEU . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 131' ' ' VAL . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 124' ' ' VAL . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 127' ' ' PHE . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 77' ' ' HIS . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.84 -47.9 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.29 135.5 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.64 92.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.47 142.52 36.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.4 m -66.75 -44.4 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -107.49 175.29 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.7 p -134.38 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.1 m -126.95 175.94 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 124.46 143.44 6.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.47 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.5 m -86.27 158.78 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.9 m -79.02 -58.51 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -157.7 163.75 37.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -158.9 158.04 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.48 160.38 27.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -142.63 158.28 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -155.74 152.96 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' HG13 ' A' ' 8' ' ' ILE . . . 151.24 127.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 7' ' ' GLY . 28.6 mt -141.66 125.79 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.54 131.47 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -124.51 120.36 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -153.12 113.16 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -145.39 140.05 27.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.6 m -137.34 124.62 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 79.0 m -156.86 128.76 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.62 146.37 53.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -167.78 159.02 11.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.49 138.96 49.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.57 120.71 21.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -111.4 -30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.78 156.4 9.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 169.23 19.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.48 7.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.12 -41.76 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 75' ' ' ARG . 13.3 tp -72.78 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.23 -14.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t60 52.12 39.59 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.36 137.04 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.14 -93.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.564 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -138.14 164.05 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 -86.3 -51.39 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 33' ' ' THR . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HE3' HD11 ' A' ' 79' ' ' ILE . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD2' HD11 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.489 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 47' ' ' ILE . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -52.67 -31.16 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -71.59 -65.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.4 144.63 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -91.77 -55.42 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.77 -42.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.3 t -55.33 -64.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -33.04 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t -50.74 -39.22 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 74' ' ' ILE . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.611 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.529 ' HB3' HD13 ' A' ' 25' ' ' LEU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.665 HD11 ' HE3' ' A' ' 43' ' ' LYS . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 50' ' ' GLN . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 94' ' ' ILE . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 91' ' ' GLN . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CE2' HD21 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.579 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 115' ' ' LYS . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 122' ' ' LEU . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 119' ' ' TRP . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 128' ' ' LEU . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 124' ' ' VAL . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.608 HG21 ' CE2' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 44' ' ' TRP . 10.3 mp -38.33 -50.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.01 -49.48 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.6 -179.49 47.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.585 ' H ' HD12 ' A' ' 144' ' ' LEU . 5.6 mp -64.35 172.55 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.75 0.309 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.3 p -83.62 109.77 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 76.1 p -59.28 -49.45 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.1 m -67.56 165.6 16.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -144.98 167.95 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.44 152.61 5.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 7.84 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.8 t -97.13 149.5 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.8 m 67.14 43.22 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -164.98 164.84 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -166.38 168.45 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 146.07 4.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -167.38 156.93 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -153.36 139.94 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.63 98.83 2.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.551 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.33 113.05 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.67 118.86 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -141.08 123.82 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -118.86 129.11 55.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.53 2.65 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -69.46 114.46 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -138.18 134.38 34.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.29 146.58 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 126.01 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.572 ' HB2' HD12 ' A' ' 18' ' ' LEU . 8.1 m-20 -88.03 -45.99 9.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.1 mp -106.58 177.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 46.3 p90 46.7 32.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -80.03 143.75 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.11 61.78 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.623 2.215 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' C ' HG12 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.6 pt 38.79 31.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -39.22 -55.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 80' ' ' PHE . 7.2 mt -81.29 -56.64 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.4 mtm -53.08 106.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.73 108.68 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -59.22 -37.14 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 32.18 -132.59 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.05 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.28 -49.25 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 52' ' ' VAL . 2.9 m -72.55 -36.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 52' ' ' VAL . 5.4 pt20 -155.08 117.39 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -164.66 172.03 13.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -97.95 -45.74 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.35 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.7 p -62.24 -44.21 97.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 4.6 pt20 -73.72 -31.18 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 5.0 t -71.23 -36.83 71.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 64' ' ' VAL . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.699 ' HB3' HG21 ' A' ' 124' ' ' VAL . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.889 HG21 HD23 ' A' ' 60' ' ' LEU . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' HD22 ' A' ' 25' ' ' LEU . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.444 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.431 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 91' ' ' GLN . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.485 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.918 HG22 HD12 ' A' ' 116' ' ' LEU . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.411 HD11 ' OH ' ' A' ' 97' ' ' TYR . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.918 HD12 HG22 ' A' ' 107' ' ' ILE . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' CH2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 63' ' ' ASP . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.887 HG21 ' CE1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.76 -39.11 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -87.65 -50.37 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 45.17 85.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 146' ' ' SER . 0.6 OUTLIER -75.22 -38.5 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.455 ' N ' ' HG ' ' A' ' 144' ' ' LEU . 24.0 p 42.56 36.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.576 ' HB3' HD12 ' A' ' 144' ' ' LEU . 24.6 p -54.38 -51.19 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.4 t -131.98 117.41 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.4 t -53.11 -48.84 67.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -171.15 87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.69 12.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 41.5 m 62.61 42.96 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.3 t -141.28 138.57 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -147.28 117.97 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -123.14 110.73 15.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 44.43 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.5 t -37.64 -48.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -146.86 132.02 18.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.89 66.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -136.83 160.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -137.92 106.22 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -144.58 141.24 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.65 102.02 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -141.04 122.55 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -125.94 113.93 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -155.34 125.66 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -106.98 -8.8 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.67 167.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -130.75 167.14 19.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.49 133.52 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.42 -58.53 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.92 152.08 61.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 163.86 36.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.15 6.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE2' ' A' ' 26' ' ' MET . 8.9 pt -85.11 17.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -48.77 -59.87 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 75' ' ' ARG . 15.5 tp -74.7 -34.36 62.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.425 ' HE2' HG22 ' A' ' 23' ' ' ILE . 10.9 mtp -73.19 151.2 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -148.26 107.99 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -101.57 174.15 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.71 -177.74 18.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.99 147.22 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.453 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 -44.93 -48.8 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CZ3' HD21 ' A' ' 116' ' ' LEU . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.649 HG21 ' CE2' ' A' ' 93' ' ' TYR . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' ND2' ' OE1' ' A' ' 82' ' ' GLN . 10.0 t30 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p -44.52 -38.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -156.11 115.32 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.38 159.56 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.95 -44.33 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -35.7 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 t -65.02 -53.74 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 8.3 pt20 -60.76 -32.88 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.2 t -69.14 -31.16 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.589 HD11 ' HG3' ' A' ' 103' ' ' PRO . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 70' ' ' VAL . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 67' ' ' ASN . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HB3' HD13 ' A' ' 25' ' ' LEU . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.404 ' OE1' ' ND2' ' A' ' 48' ' ' ASN . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 47' ' ' ILE . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 115' ' ' LYS . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' N ' HD11 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 108' ' ' LEU . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.662 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.561 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.496 HG13 ' CZ ' ' A' ' 78' ' ' PHE . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 141' ' ' LEU . 6.4 mp -55.99 170.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.91 132.56 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 97.77 99.63 2.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 144' ' ' LEU . 3.2 pp -105.83 157.01 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m -66.94 -56.62 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 m -143.05 130.63 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.2 t -76.71 158.87 30.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 132.84 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -55.39 163.69 4.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.5 p -133.61 164.86 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 t -59.48 -55.36 35.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.435 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -142.57 140.14 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -65.46 -48.16 73.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 94.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -125.72 173.78 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 70.4 p -83.24 -47.55 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.0 64.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 tp -93.54 -31.97 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t0 52.54 46.02 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.51 45.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' HD12 ' A' ' 12' ' ' LEU . 23.5 pttm -155.4 120.67 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 11' ' ' LYS . 3.8 mp -150.58 174.24 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -55.05 140.33 38.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -74.19 118.93 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -152.87 105.36 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.1 -67.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 53.78 32.06 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -126.24 134.64 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -115.32 -37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 140.38 15.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 23' ' ' ILE . 54.1 Cg_endo -69.68 135.53 30.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.7 Cg_endo -69.72 -1.43 8.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 21' ' ' PRO . 6.9 pt -39.1 -28.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 23' ' ' ILE . 5.5 t70 50.61 37.87 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD21 ' CB ' ' A' ' 75' ' ' ARG . 4.0 mt 65.11 43.19 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.4 mtm -94.66 111.32 23.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CG ' ' CG2' ' A' ' 79' ' ' ILE . 9.0 t-80 -117.77 17.35 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -72.43 142.66 48.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.13 -103.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.4 m -103.18 136.21 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -54.06 -44.94 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD21 HD11 ' A' ' 47' ' ' ILE . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.759 HG21 ' CE2' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 HD13 ' A' ' 99' ' ' LEU . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.502 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 1.8 t-20 -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p -36.67 -40.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 6.9 mm-40 -68.15 -66.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -56.37 125.49 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 33.2 m-85 -84.88 -45.17 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -32.17 -37.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PHE . 22.0 m -58.34 -54.92 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 7.1 pt20 -62.2 -32.35 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 42.1 t -50.85 -28.55 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' OD2' HG21 ' A' ' 124' ' ' VAL . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' CE3' ' A' ' 65' ' ' TRP . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.41 ' CE3' HG12 ' A' ' 64' ' ' VAL . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 67' ' ' ASN . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 131' ' ' VAL . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 78' ' ' PHE . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.738 ' CB ' HD21 ' A' ' 25' ' ' LEU . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HB2' HG23 ' A' ' 74' ' ' ILE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.713 HD11 ' HE3' ' A' ' 43' ' ' LYS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 51' ' ' ASN . 8.4 p80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.759 ' CE2' HG21 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 99' ' ' LEU . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 117' ' ' VAL . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 107' ' ' ILE . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.631 HG21 ' OD2' ' A' ' 63' ' ' ASP . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 73' ' ' ILE . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 42' ' ' ASN . 6.8 mp -53.2 175.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.477 ' O ' HD23 ' A' ' 144' ' ' LEU . 20.3 m-20 -88.05 -61.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.42 113.63 4.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 144' ' ' LEU . 1.3 pt? -128.46 123.97 34.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -156.36 142.55 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -116.82 117.83 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -105.64 -37.68 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 m -60.2 174.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -77.85 162.22 50.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.31 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.331 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.2 m -139.9 154.6 47.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.4 t -83.46 -51.39 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -151.55 159.95 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -167.91 172.1 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.66 168.49 41.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -166.64 171.01 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -167.86 154.58 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 87.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.0 pt -131.63 137.31 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -156.97 147.04 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -157.29 156.34 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.57 125.33 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -151.18 123.23 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 m -135.64 114.22 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 p -130.75 103.6 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -126.28 159.0 34.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.854 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . . . -116.04 152.64 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -95.34 -56.05 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 19' ' ' PHE . 4.1 pp -95.95 -45.05 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.638 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 44.9 m-85 -46.48 -43.95 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HG2' ' HB3' ' A' ' 16' ' ' ALA . 5.0 mmp_? -59.03 156.46 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 83.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -58.27 -30.48 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' ILE . 6.9 t70 -35.51 -54.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 3.9 mm? -57.87 -60.57 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -53.12 137.61 33.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 11.5 t60 -105.45 139.24 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 27' ' ' HIS . 6.4 mtpm? -100.24 168.9 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.04 -105.55 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -151.54 158.87 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -50.1 -50.37 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HZ1' ' A' ' 43' ' ' LYS . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HD2' HD13 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 108' ' ' LEU . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.604 HG21 ' CE2' ' A' ' 93' ' ' TYR . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 102' ' ' PHE . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.38 -23.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -93.38 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.02 103.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' ALA . 1.2 p90 -65.78 -37.93 87.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -43.61 -28.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.0 t -72.68 -55.5 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 6.5 pt20 -62.1 -34.85 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.5 t -45.19 -53.55 8.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 74' ' ' ILE . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HB3' HD21 ' A' ' 25' ' ' LEU . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.755 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.831 HD13 ' HD2' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.937 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 47' ' ' ILE . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 91' ' ' GLN . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.486 ' CG ' HD12 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.72 HD12 HG21 ' A' ' 117' ' ' VAL . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' OH ' ' A' ' 97' ' ' TYR . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 141' ' ' LEU . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.72 HG21 HD12 ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt -33.15 -50.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.21 -60.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 103.87 113.23 3.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.43 -56.54 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -102.65 139.06 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.2 p -130.34 164.36 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 t -135.63 176.86 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.7 t -57.67 -55.47 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.45 87.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.86 22.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -75.55 112.14 11.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.5 p -42.33 -51.53 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 62.53 42.7 8.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -85.29 172.18 11.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.32 -169.92 12.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -163.89 154.81 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -123.8 169.71 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' C ' HD12 ' A' ' 8' ' ' ILE . . . 111.81 122.82 4.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD12 ' C ' ' A' ' 7' ' ' GLY . 5.4 mp -146.2 112.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 111.097 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -157.81 113.98 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 8.8 ptmt -145.47 106.17 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 10' ' ' LYS . 2.5 mptp? -126.68 138.84 53.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.97 -48.13 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.531 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.3 p 44.98 39.34 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -142.25 138.33 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.68 112.39 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.89 152.28 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 20.7 m-20 -53.73 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.55 -50.63 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' ASP . 5.0 m-85 53.19 33.32 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -139.85 153.31 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.21 19.39 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 pt -104.14 17.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.78 -44.22 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 80' ' ' PHE . 19.1 tp -80.95 -51.37 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.5 mtm -61.14 119.83 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -80.57 115.67 20.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -85.77 127.01 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.65 -169.99 23.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -98.41 175.23 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.828 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 62.9 t80 -61.57 -44.97 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 108' ' ' LEU . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE2' ' CG ' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' OD1' ' CD ' ' A' ' 82' ' ' GLN . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.53 -32.21 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -75.37 -68.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.91 176.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLN . 27.0 m-85 -116.16 -35.2 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -35.45 -38.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -59.32 -46.17 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -73.14 -34.79 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 45.1 t -59.22 -35.41 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD11 ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.62 ' HB3' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.436 ' HZ3' HD11 ' A' ' 74' ' ' ILE . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.599 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 67' ' ' ASN . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.415 HG23 ' ND1' ' A' ' 77' ' ' HIS . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.415 ' ND1' HG23 ' A' ' 73' ' ' ILE . 40.8 m80 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 25' ' ' LEU . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 94' ' ' ILE . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 91' ' ' GLN . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.623 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.867 ' HG3' HD11 ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.654 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 114' ' ' GLN . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.641 ' O ' HD13 ' A' ' 108' ' ' LEU . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 107' ' ' ILE . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.654 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.428 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 131' ' ' VAL . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 127' ' ' PHE . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp -82.59 -57.52 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 52.04 47.59 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.9 -156.18 8.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -52.45 142.25 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 m -138.12 107.73 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 64.6 p -68.91 -55.18 11.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.4 p -124.13 142.44 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.9 t -99.73 115.05 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -110.22 -153.11 13.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.26 13.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -83.36 -58.61 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.0 m -69.46 170.32 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -56.75 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t 64.89 42.76 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.18 143.65 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -161.49 167.03 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.98 177.78 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.76 122.09 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 8' ' ' ILE . 17.8 tt -131.57 117.95 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.88 128.12 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -141.1 103.08 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -157.78 128.67 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -150.8 162.41 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 13' ' ' THR . 5.2 t -157.65 118.7 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -164.45 150.68 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -132.84 133.18 43.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.27 167.11 14.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -52.05 151.71 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.44 124.0 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.9 -55.16 9.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -64.0 155.14 79.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.34 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 90.7 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 23' ' ' ILE . 2.7 pp -81.69 16.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.8 -49.24 49.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 71' ' ' LYS . 4.5 mt -74.17 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.1 mtm -52.39 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -105.12 136.94 43.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -104.15 143.68 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.03 152.88 7.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -60.41 147.49 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 -42.07 -52.04 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.503 ' HB3' ' NE2' ' A' ' 82' ' ' GLN . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.691 ' ND2' ' CG ' ' A' ' 102' ' ' PHE . 10.9 m120 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -79.93 -34.51 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -79.02 -56.91 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.13 154.95 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -96.41 -38.31 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.19 -56.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.1 t -43.25 -53.69 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -52.13 -68.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m -40.04 -42.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 HG21 ' A' ' 64' ' ' VAL . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.598 HG21 HD23 ' A' ' 60' ' ' LEU . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.981 HG13 ' CE2' ' A' ' 127' ' ' PHE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD11 ' A' ' 25' ' ' LEU . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.586 HG23 ' ND1' ' A' ' 77' ' ' HIS . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.586 ' ND1' HG23 ' A' ' 73' ' ' ILE . 53.1 m80 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.503 ' NE2' ' HB3' ' A' ' 48' ' ' ASN . 2.0 tp-100 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 91' ' ' GLN . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.866 HD12 ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.691 ' CG ' ' ND2' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 115' ' ' LYS . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' N ' HD11 ' A' ' 116' ' ' LEU . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.474 ' CG ' HD11 ' A' ' 141' ' ' LEU . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.628 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.579 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.711 HD21 ' HD1' ' A' ' 127' ' ' PHE . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.981 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 127' ' ' PHE . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 144' ' ' LEU . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp -52.54 163.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.33 -29.63 69.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -50.12 -101.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 140' ' ' GLN . 16.7 mt 51.98 42.75 30.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.2 t -96.17 132.21 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m -58.43 105.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -67.09 120.35 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 65.3 m -75.97 130.37 38.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 122.27 131.71 3.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 163.36 38.55 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.9 m -111.75 141.72 45.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.0 t -127.09 162.97 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -160.81 161.82 32.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 59.84 41.87 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.01 80.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -136.92 128.54 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -158.18 167.12 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.2 54.15 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 pt -137.52 131.46 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -151.58 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -146.47 114.66 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' HG ' ' A' ' 12' ' ' LEU . 47.9 tttt -147.42 139.07 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 11' ' ' LYS . 11.9 mt -149.91 122.72 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -153.87 174.76 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -56.81 131.95 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -113.62 -7.99 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.93 121.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.97 -57.91 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 21' ' ' PRO . 7.1 tp -111.86 126.72 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -49.27 -62.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -150.92 139.54 13.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 18' ' ' LEU . 53.3 Cg_endo -69.79 145.46 57.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' C ' HG12 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.76 -1.84 9.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.9 pt 38.31 32.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -47.71 -52.03 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 75' ' ' ARG . 6.5 tp -115.59 -24.27 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.5 ttp -88.78 152.76 21.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.29 103.55 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -110.58 16.68 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.23 -166.98 2.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' THR . 15.3 m -76.33 140.42 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.9 p90 -35.18 -53.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' NE1' ' HA ' ' A' ' 140' ' ' GLN . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD11 ' HB1' ' A' ' 34' ' ' ALA . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.677 HG23 ' HE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 53' ' ' GLN . 7.4 p -105.17 -31.16 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG3' HG13 ' A' ' 52' ' ' VAL . 87.0 mt-30 -113.56 -37.86 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.25 165.46 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -112.3 -33.03 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.52 -50.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLN . 49.0 t -59.46 -57.3 13.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 6.0 mm-40 -37.3 -62.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t -41.16 -52.01 3.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD11 ' HG3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.44 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 60' ' ' LEU . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 74' ' ' ILE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 16.4 m120 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.55 HD12 HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.797 ' HB3' HD13 ' A' ' 25' ' ' LEU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.677 ' HE3' HG23 ' A' ' 47' ' ' ILE . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.469 ' HA ' HD12 ' A' ' 94' ' ' ILE . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 91' ' ' GLN . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 101' ' ' ASP . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.59 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.659 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.492 ' HB ' HG22 ' A' ' 117' ' ' VAL . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.529 HD13 ' OH ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 107' ' ' ILE . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.794 ' O ' HG23 ' A' ' 131' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 127' ' ' PHE . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.443 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.405 HD21 ' HG3' ' A' ' 111' ' ' ARG . 7.1 mp -69.33 147.54 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -120.68 141.61 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -173.71 -89.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.76 123.11 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -71.24 109.36 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t -115.76 109.43 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.8 t -101.15 114.1 27.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.6 t -150.18 126.25 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 150' ' ' PRO . . . 90.62 112.55 1.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 149' ' ' GLY . 53.3 Cg_endo -69.83 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -83.41 110.55 18.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.2 p -85.54 -55.63 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.9 t -92.62 103.35 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 78.5 p -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -118.55 1.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -140.81 153.97 46.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -69.15 164.48 22.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 154.48 1.31 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 10' ' ' LYS . 24.7 mt -88.71 -49.07 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 61.82 44.2 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 8' ' ' ILE . 6.7 mmmm -143.9 117.0 8.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -142.21 146.24 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.9 pt? -159.02 156.71 29.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -116.08 128.37 55.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -151.84 170.26 20.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -67.12 159.38 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.64 109.15 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.46 -53.8 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -131.38 142.86 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -59.69 -46.57 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -143.22 136.79 14.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.78 68.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 5.07 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -78.74 10.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 5.6 m-20 -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' CD2' ' HZ2' ' A' ' 71' ' ' LYS . 25.2 tp -93.06 -56.98 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtm -62.15 115.77 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -112.35 118.2 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -139.67 121.25 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.51 -78.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -145.63 177.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 -86.68 -44.83 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 141' ' ' LEU . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 47' ' ' ILE . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.81 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' HG22 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.22 -28.92 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG3' ' ND2' ' A' ' 51' ' ' ASN . 1.8 pt20 -92.21 -40.29 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 51' ' ' ASN . 7.4 t70 -61.34 123.77 18.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 5.9 t80 -82.78 -44.24 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.2 -53.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HA ' HD23 ' A' ' 60' ' ' LEU . 81.4 m -38.42 -55.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -39.15 -60.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t -42.31 -50.88 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 25.9 t30 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.882 HG12 ' CE3' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.882 ' CE3' HG12 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.539 HG12 HD12 ' A' ' 74' ' ' ILE . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HZ2' ' CD2' ' A' ' 25' ' ' LEU . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.81 ' CE1' HD12 ' A' ' 47' ' ' ILE . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLN . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.682 HD12 ' CB ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.682 ' CB ' HD12 ' A' ' 99' ' ' LEU . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.577 HD11 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.653 ' CG ' HD11 ' A' ' 116' ' ' LEU . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 109' ' ' ASP . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.596 HD23 ' HH2' ' A' ' 65' ' ' TRP . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 132' ' ' THR . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 128' ' ' LEU . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp -35.71 -49.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.37 166.61 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 144' ' ' LEU . . . -134.2 49.83 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 143' ' ' GLY . 10.3 mt -151.06 129.06 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 m -77.26 133.13 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.1 m -153.44 106.29 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -159.19 173.63 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -40.85 -44.31 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.86 84.59 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.4 m -74.53 165.95 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.3 p -65.64 163.36 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -152.69 147.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -122.93 159.13 28.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.45 -60.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m 54.22 42.13 31.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.57 174.59 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' H ' HD12 ' A' ' 8' ' ' ILE . . . -143.83 62.75 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.498 HD12 ' H ' ' A' ' 7' ' ' GLY . 5.3 mp -136.97 108.06 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.48 140.79 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -141.72 146.67 36.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -140.84 149.55 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 13' ' ' THR . 1.3 pp -164.66 158.62 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 12' ' ' LEU . 26.6 m -74.37 113.66 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -116.24 -37.23 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.66 127.75 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.33 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.072 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.28 105.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.98 178.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -105.83 -32.83 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -128.97 143.84 50.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.84 144.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.73 17.82 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' PRO . 10.8 pt -33.5 -39.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.66 -49.64 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 75' ' ' ARG . 22.6 tp -85.14 -32.53 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 8.8 ttp -94.02 115.39 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -61.18 168.92 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.94 125.14 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.74 118.71 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' CZ2' ' A' ' 81' ' ' TRP . 46.1 p -167.24 154.59 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -109.6 -37.87 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 3.0 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' ILE . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 HD22 ' CG2' ' A' ' 105' ' ' VAL . 2.4 t-20 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.638 ' ND2' ' CG ' ' A' ' 102' ' ' PHE . 5.3 m120 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HE2' ' A' ' 84' ' ' TYR . 28.1 m -72.63 -28.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -86.7 -52.62 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 12.2 t70 -62.02 142.45 57.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 2.1 p90 -91.46 -39.53 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -33.55 -55.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' ALA . 7.4 t -36.97 -53.63 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -49.88 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t -45.93 -42.35 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 127' ' ' PHE . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.477 HD12 HG12 ' A' ' 70' ' ' VAL . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.458 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HE2' HG12 ' A' ' 52' ' ' VAL . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 99' ' ' LEU . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.425 ' CG2' HD22 ' A' ' 48' ' ' ASN . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 108' ' ' LEU . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.454 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.425 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.553 ' CE3' HD21 ' A' ' 122' ' ' LEU . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.553 HD21 ' CE3' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 127' ' ' PHE . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CE1' HG13 ' A' ' 70' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 132' ' ' THR . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp -41.08 -52.88 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.529 ' O ' HD22 ' A' ' 144' ' ' LEU . 1.6 t70 -47.8 -46.01 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.12 131.15 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 142' ' ' ASP . 4.1 mm? -92.82 -61.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.7 t -39.28 -47.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.8 m -107.51 126.44 52.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.7 t -165.75 163.63 18.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 t -77.26 133.11 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -95.89 146.86 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.8 m -45.42 -50.57 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.6 p -128.23 128.01 43.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -77.4 156.09 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -111.07 160.62 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.26 146.93 9.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -135.64 128.63 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -109.78 108.6 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.45 145.8 26.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 8' ' ' ILE . 5.2 mp -116.1 135.97 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.33 152.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' HD11 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -122.94 129.06 51.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -90.67 126.63 36.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 10' ' ' LYS . 3.9 mp -148.1 121.3 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 m -125.68 107.37 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 156.19 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.559 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -108.05 177.7 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.94 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -99.78 -36.02 9.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.24 136.19 42.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.94 -37.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -68.52 153.65 95.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' HG23 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.76 147.65 63.34 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.39 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.73 14.19 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 21' ' ' PRO . 16.8 pt -36.71 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' PRO . 38.8 t0 -60.67 -47.2 87.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -57.14 -43.19 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.2 177.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -107.16 172.42 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -137.2 157.89 45.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.74 -139.25 15.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -121.01 162.11 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 -37.72 -50.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.56 ' C ' HD12 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.498 HG21 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.588 HD22 ' HB2' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.22 -30.33 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -83.74 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 51' ' ' ASN . 1.5 m-20 -66.35 157.74 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' CYS . 41.0 m-85 -117.68 -25.09 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' LEU . . . -47.02 -18.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.588 ' HB2' HD22 ' A' ' 51' ' ' ASN . 1.7 m -90.76 -55.97 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -59.1 -39.82 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p -45.99 -32.19 2.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD23 HG11 ' A' ' 64' ' ' VAL . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 HD21 ' A' ' 128' ' ' LEU . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' A' ' 25' ' ' LEU . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.453 HG23 ' ND1' ' A' ' 77' ' ' HIS . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.453 ' ND1' HG23 ' A' ' 73' ' ' ILE . 48.4 m80 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CB ' HD23 ' A' ' 25' ' ' LEU . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.483 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 94' ' ' ILE . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.5 ' OH ' HD22 ' A' ' 108' ' ' LEU . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.5 HD22 ' OH ' ' A' ' 97' ' ' TYR . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HA ' HD23 ' A' ' 108' ' ' LEU . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.481 HG21 ' CH2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.481 ' CH2' HG21 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.546 ' O ' HD12 ' A' ' 122' ' ' LEU . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 121' ' ' GLN . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 128' ' ' LEU . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' PHE . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD21 HG22 ' A' ' 70' ' ' VAL . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 42' ' ' ASN . 1.4 mt -157.99 161.39 38.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.63 33.06 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.25 136.96 13.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.88 157.69 43.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.2 m -162.35 155.73 20.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m -150.62 138.99 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.6 t 60.62 41.89 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.8 m -130.45 160.42 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -143.75 105.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.15 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.9 p -79.85 -41.16 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 m 52.55 40.97 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -156.5 148.26 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -158.07 157.14 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -179.91 32.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -165.67 159.0 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -142.68 166.87 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.84 175.4 23.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -140.83 105.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 111.09 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.8 170.97 19.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -73.01 117.1 14.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -109.11 -35.8 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -55.38 137.76 47.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' THR . 6.0 t -154.22 119.95 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.8 m -157.5 147.75 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.66 117.68 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 18' ' ' LEU . 85.7 m-20 -86.99 -67.82 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.907 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.27 144.13 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -118.07 -37.94 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -77.22 143.77 70.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.9 64.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 87.03 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 24' ' ' ASP . 10.4 pt -53.01 -27.05 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 23' ' ' ILE . 2.0 m-20 -48.34 -44.31 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD11 ' CD ' ' A' ' 71' ' ' LYS . 11.3 mt -64.58 -51.76 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mtm -53.52 108.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 83.2 t60 -76.88 169.21 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 5.1 mptp? -38.58 -46.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' N ' ' HE1' ' A' ' 81' ' ' TRP . 2.3 m -136.82 129.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.3 -45.26 73.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' NE2' ' HB2' ' A' ' 57' ' ' CYS . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.457 HD21 ' C ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -38.28 -38.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.07 109.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.89 17.5 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -102.41 -32.89 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.33 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.481 ' HB2' ' NE2' ' A' ' 50' ' ' GLN . 26.7 p -50.63 -36.55 35.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -35.84 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t -55.34 -50.13 70.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' SER . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 127' ' ' PHE . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' CD ' HD11 ' A' ' 25' ' ' LEU . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.515 HG23 ' ND1' ' A' ' 77' ' ' HIS . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.515 ' ND1' HG23 ' A' ' 73' ' ' ILE . 35.3 m80 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 107' ' ' ILE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.453 ' HE1' ' N ' ' A' ' 30' ' ' SER . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 83' ' ' VAL . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.547 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 1.028 HG22 HD12 ' A' ' 116' ' ' LEU . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD21 ' OH ' ' A' ' 97' ' ' TYR . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB2' HD21 ' A' ' 116' ' ' LEU . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.028 HD12 HG22 ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 127' ' ' PHE . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 131' ' ' VAL . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 127' ' ' PHE . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 143' ' ' GLY . 0.8 OUTLIER -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.19 171.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -48.33 -47.94 36.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.416 ' O ' ' NE2' ' A' ' 140' ' ' GLN . . . -43.11 160.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 144' ' ' LEU . 3.8 pp -73.64 173.54 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.5 p -157.31 149.46 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.7 m -127.57 160.38 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.4 t -94.33 114.96 27.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.9 t -112.07 125.44 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.45 7.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.05 64.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.9 p -64.42 -54.56 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -125.74 143.48 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 p -152.36 167.39 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 102.1 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -93.57 -55.26 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -158.36 162.86 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 74.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.1 pt -124.82 127.44 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -147.39 112.72 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -142.66 114.95 8.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -153.15 144.92 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.33 110.29 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 15' ' ' LEU . 38.5 m -160.47 157.84 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 13' ' ' THR . 24.5 p -42.35 -56.56 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD12 ' HB ' ' A' ' 13' ' ' THR . 4.0 mp 59.86 46.96 10.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 18' ' ' LEU . . . -52.03 130.09 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -64.81 104.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 16' ' ' ALA . 4.5 mm? -57.46 123.5 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -40.0 -61.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -140.75 132.42 14.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.14 24.8 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.248 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 5.1 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' PRO . 4.2 pt -35.74 -34.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' PRO . 7.7 t0 51.69 38.71 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.613 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER 60.53 34.19 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.3 mtm -75.33 148.48 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 2.2 t60 -118.0 -28.38 5.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 30.9 pttt 45.41 32.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.39 120.53 4.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -66.68 -178.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 -56.69 -63.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.651 ' C ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 47' ' ' ILE . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.865 HG21 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.586 HD11 ' CD2' ' A' ' 93' ' ' TYR . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.707 ' NE2' ' CE1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -95.87 -33.28 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.29 -49.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 32.4 t70 -70.07 156.34 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -117.95 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.51 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -38.08 -47.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.506 ' HB3' ' ND2' ' A' ' 51' ' ' ASN . 7.4 t -56.04 -68.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -48.48 -30.55 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 8.1 t -54.81 -43.26 72.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 64' ' ' VAL . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD21 ' A' ' 128' ' ' LEU . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' VAL . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 74' ' ' ILE . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.409 HG21 ' CE1' ' A' ' 27' ' ' HIS . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 89' ' ' GLU . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.707 ' CE1' ' NE2' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HB3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.496 ' O ' HD12 ' A' ' 94' ' ' ILE . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.717 ' HA ' HD13 ' A' ' 94' ' ' ILE . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.865 ' CE1' HG21 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.717 HD13 ' HA ' ' A' ' 91' ' ' GLN . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.707 HD13 ' HE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 107' ' ' ILE . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 122' ' ' LEU . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 119' ' ' TRP . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.757 ' CE2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 132' ' ' THR . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.757 HG21 ' CE2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 128' ' ' LEU . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 42' ' ' ASN . 30.4 mt -154.25 173.13 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 146.06 38.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.12 123.69 6.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 144' ' ' LEU . 4.1 pp -86.34 147.68 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.7 m -98.07 -45.7 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 42.2 t -56.51 148.21 20.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -74.27 137.11 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.5 p -121.01 125.4 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -111.3 92.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.22 47.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.9 p -75.51 136.37 40.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.7 t -122.91 116.21 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -118.66 147.85 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -89.92 -44.78 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.67 142.88 13.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -64.97 162.85 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -79.77 129.8 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.87 -168.98 29.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 pt -111.66 114.34 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.68 126.05 10.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.65 -50.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -168.06 154.88 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.5 pt? -127.29 127.97 45.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -167.97 158.45 10.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.3 p -66.06 120.04 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.37 117.24 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.19 171.55 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.39 179.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -109.59 104.44 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -110.92 -37.98 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -111.45 143.5 28.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.75 140.94 43.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.78 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' ASP . 1.4 pp -32.02 -44.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 23' ' ' ILE . 18.5 t0 40.93 44.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' PHE . 1.0 OUTLIER 52.44 43.03 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 mtm -83.49 145.38 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 32.3 t-80 -131.46 174.74 9.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 37.6 tttm -52.04 114.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.11 91.79 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.6 m -157.28 129.78 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -62.74 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 108' ' ' LEU . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 HD21 ' A' ' 45' ' ' LEU . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.65 ' OD1' HG22 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.566 ' ND2' ' CD2' ' A' ' 102' ' ' PHE . 22.5 m120 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.474 HG12 ' CE1' ' A' ' 84' ' ' TYR . 27.2 m -85.23 -30.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -97.73 -44.27 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.52 115.12 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -77.82 7.11 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -50.16 -47.75 54.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' HA ' HD13 ' A' ' 60' ' ' LEU . 8.6 p -56.64 -50.99 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' CYS . 28.5 mm-40 -41.38 -63.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' GLN . 1.9 t -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.677 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.413 HG23 ' ND1' ' A' ' 77' ' ' HIS . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.413 ' ND1' HG23 ' A' ' 73' ' ' ILE . 46.1 m80 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.605 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.494 ' OH ' HD13 ' A' ' 108' ' ' LEU . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.69 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.69 ' CZ ' HD11 ' A' ' 99' ' ' LEU . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.65 HG22 ' OD1' ' A' ' 48' ' ' ASN . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 117' ' ' VAL . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.576 ' HB3' HD23 ' A' ' 45' ' ' LEU . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 107' ' ' ILE . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 64' ' ' VAL . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.75 ' CD1' HD21 ' A' ' 122' ' ' LEU . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp -52.58 161.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 142.18 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 121.2 118.62 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.981 HD22 ' N ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.45 162.38 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.981 ' N ' HD22 ' A' ' 144' ' ' LEU . 96.4 p -156.86 128.48 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.6 t -66.23 145.73 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 156.44 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.6 m -48.32 -60.42 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 149.41 66.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 2.74 3.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.1 t -68.91 116.01 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -140.54 175.94 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -153.59 170.86 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -154.35 139.94 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.25 140.56 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 p -162.07 163.99 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -161.24 176.74 10.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.55 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.805 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -122.27 135.17 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 4.4 p30 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.54 151.03 39.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.47 147.01 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.7 pt? -154.81 127.3 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -141.46 117.04 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -156.97 151.85 25.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -139.35 135.53 33.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.8 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.89 -68.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -107.75 156.31 19.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' N ' HD22 ' A' ' 18' ' ' LEU . 31.7 m-85 -98.0 -50.04 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.12 143.12 32.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.74 170.7 15.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 53.8 Cg_endo -69.77 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' ASP . 38.5 pt -54.83 -13.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -33.5 -61.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' HD3' ' A' ' 71' ' ' LYS . 11.0 mt -65.6 -50.77 63.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 58.1 mtm -60.49 113.76 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -88.83 108.72 19.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -58.31 157.71 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.75 -142.72 13.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -138.2 176.49 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -58.71 -49.34 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.638 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' HE2' ' A' ' 84' ' ' TYR . 35.2 m -87.81 -22.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 52' ' ' VAL . 54.8 mt-30 -95.33 -62.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.64 146.69 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -99.71 -30.68 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -37.12 -53.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.6 p -45.59 -49.43 14.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -55.39 -68.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t -43.08 -39.84 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 124' ' ' VAL . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 74' ' ' ILE . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.7 ' HD3' HD11 ' A' ' 25' ' ' LEU . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD12 HG12 ' A' ' 70' ' ' VAL . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.613 ' CH2' HG21 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG21 ' CH2' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.538 ' HE2' HG12 ' A' ' 52' ' ' VAL . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 94' ' ' ILE . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 96' ' ' PHE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 91' ' ' GLN . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 117' ' ' VAL . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.738 ' N ' HD13 ' A' ' 108' ' ' LEU . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 128' ' ' LEU . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 124' ' ' VAL . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PHE . . . . . 0.519 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.519 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.414 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' ASP . 9.0 mp -54.16 -61.85 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' LEU . 6.5 p-10 -37.08 -48.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -42.12 148.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 144' ' ' LEU . 2.7 mm? -80.07 -49.93 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -53.71 111.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -130.27 146.17 51.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 t -57.37 -61.26 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.4 t -135.69 140.92 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 95.5 125.71 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.5 30.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.1 m -92.11 124.18 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.4 t -74.12 115.27 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.817 0.342 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.481 ' HA ' HD22 ' A' ' 141' ' ' LEU . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.628 ' CG ' HG21 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.649 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 77' ' ' HIS . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.817 ' CD2' HG23 ' A' ' 73' ' ' ILE . 90.1 m-70 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.643 HG12 HD22 ' A' ' 99' ' ' LEU . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.419 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.997 HD12 HG21 ' A' ' 117' ' ' VAL . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.617 ' HB2' HD21 ' A' ' 122' ' ' LEU . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.628 HG21 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.584 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 119' ' ' TRP . 37.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 64.2 m-70 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 42' ' ' ASN . 9.5 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.491 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 141' ' ' LEU . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 47' ' ' ILE . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.601 HG21 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' A' ' 102' ' ' PHE . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.0 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.799 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 HG21 ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 65' ' ' TRP . 2.8 m120 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.659 HG21 HD23 ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.58 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 127' ' ' PHE . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 77' ' ' HIS . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.58 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.502 ' HD2' HG23 ' A' ' 73' ' ' ILE . 86.9 m-70 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 135' ' ' LEU . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 94' ' ' ILE . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' HG21 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 91' ' ' GLN . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.581 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.523 ' H ' HG23 ' A' ' 94' ' ' ILE . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 122' ' ' LEU . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.541 HD12 ' CG2' ' A' ' 117' ' ' VAL . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 107' ' ' ILE . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.512 ' HE3' HD11 ' A' ' 122' ' ' LEU . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 105' ' ' VAL . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 78' ' ' PHE . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 42' ' ' ASN . 4.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 45' ' ' LEU . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 m120 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 79' ' ' ILE . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' ' 34' ' ' ALA . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 122' ' ' LEU . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.706 HG13 ' CE2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 77' ' ' HIS . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.545 ' CD2' HG23 ' A' ' 73' ' ' ILE . 92.9 m-70 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.499 ' HE2' HD13 ' A' ' 107' ' ' ILE . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' A' ' 43' ' ' LYS . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 91' ' ' GLN . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 99' ' ' LEU . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.648 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.499 HD13 ' HE2' ' A' ' 78' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.428 HG22 ' HB ' ' A' ' 107' ' ' ILE . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.772 ' HB2' HD21 ' A' ' 122' ' ' LEU . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.706 ' CE2' HG13 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.804 0.335 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' MET . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.615 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 102' ' ' PHE . 2.4 p30 -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 66' ' ' SER . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.44 HG12 ' CE3' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.44 ' CE3' HG12 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 128' ' ' LEU . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 77' ' ' HIS . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.669 ' HD2' HG23 ' A' ' 73' ' ' ILE . 90.1 m-70 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.413 ' NE2' ' NE2' ' A' ' 50' ' ' GLN . 25.8 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.601 HD12 HG21 ' A' ' 117' ' ' VAL . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 115' ' ' LYS . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 141' ' ' LEU . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.601 HG21 HD12 ' A' ' 107' ' ' ILE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.801 HD21 HG22 ' A' ' 70' ' ' VAL . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.458 HG12 HD11 ' A' ' 135' ' ' LEU . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.458 HD11 HG12 ' A' ' 131' ' ' VAL . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.676 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 10.4 m-70 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 110' ' ' PRO . 3.4 mm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.783 0.325 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 47' ' ' ILE . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 45' ' ' LEU . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 47' ' ' ILE . 27.4 m120 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 93' ' ' TYR . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.876 0.37 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.471 ' HB2' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.451 HG12 ' CE3' ' A' ' 65' ' ' TRP . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.465 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 70' ' ' VAL . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' ASN . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' HD21 ' A' ' 135' ' ' LEU . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' ILE . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 82' ' ' GLN . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CD2' HD11 ' A' ' 49' ' ' ILE . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.474 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.675 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.675 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 117' ' ' VAL . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.443 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 107' ' ' ILE . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.496 ' HB2' HD21 ' A' ' 122' ' ' LEU . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.512 ' C ' HD22 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 121' ' ' GLN . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.487 ' O ' HD12 ' A' ' 128' ' ' LEU . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 131' ' ' VAL . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 124' ' ' VAL . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 127' ' ' PHE . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 77' ' ' HIS . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 33' ' ' THR . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HE3' HD11 ' A' ' 79' ' ' ILE . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD2' HD11 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.489 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 47' ' ' ILE . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 74' ' ' ILE . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.406 HG23 ' CD2' ' A' ' 77' ' ' HIS . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.611 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' CD2' HG23 ' A' ' 73' ' ' ILE . 98.5 m-70 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.665 HD11 ' HE3' ' A' ' 43' ' ' LYS . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 50' ' ' GLN . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 94' ' ' ILE . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 91' ' ' GLN . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CE2' HD21 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.579 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 115' ' ' LYS . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 122' ' ' LEU . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 119' ' ' TRP . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 128' ' ' LEU . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 124' ' ' VAL . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.608 HG21 ' CE2' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 44' ' ' TRP . 10.3 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.792 0.329 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 52' ' ' VAL . 2.9 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.841 0.353 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 64' ' ' VAL . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.699 ' HB3' HG21 ' A' ' 124' ' ' VAL . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.889 HG21 HD23 ' A' ' 60' ' ' LEU . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.444 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 2.0 p-80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.417 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.431 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 91' ' ' GLN . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.485 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.918 HG22 HD12 ' A' ' 116' ' ' LEU . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.411 HD11 ' OH ' ' A' ' 97' ' ' TYR . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.918 HD12 HG22 ' A' ' 107' ' ' ILE . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' CH2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 63' ' ' ASP . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.887 HG21 ' CE1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.453 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CZ3' HD21 ' A' ' 116' ' ' LEU . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.649 HG21 ' CE2' ' A' ' 93' ' ' TYR . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.589 HD11 ' HG3' ' A' ' 103' ' ' PRO . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 70' ' ' VAL . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 67' ' ' ASN . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' HG2' ' C ' ' A' ' 72' ' ' ASN . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 47' ' ' ILE . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 115' ' ' LYS . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' N ' HD11 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 108' ' ' LEU . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.662 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.561 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.496 HG13 ' CZ ' ' A' ' 78' ' ' PHE . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 141' ' ' LEU . 6.4 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.763 0.316 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD21 HD11 ' A' ' 47' ' ' ILE . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.759 HG21 ' CE2' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 HD13 ' A' ' 99' ' ' LEU . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.631 ' OD2' HG21 ' A' ' 124' ' ' VAL . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' CE3' ' A' ' 65' ' ' TRP . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.41 ' CE3' HG12 ' A' ' 64' ' ' VAL . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 67' ' ' ASN . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 66' ' ' SER . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 131' ' ' VAL . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 78' ' ' PHE . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HB2' HG23 ' A' ' 74' ' ' ILE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.713 HD11 ' HE3' ' A' ' 43' ' ' LYS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.699 ' CE1' ' ND2' ' A' ' 51' ' ' ASN . 41.1 p-80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.759 ' CE2' HG21 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 99' ' ' LEU . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 117' ' ' VAL . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 107' ' ' ILE . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.631 HG21 ' OD2' ' A' ' 63' ' ' ASP . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 73' ' ' ILE . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 42' ' ' ASN . 6.8 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HZ1' ' A' ' 43' ' ' LYS . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HD2' HD13 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 108' ' ' LEU . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.604 HG21 ' CE2' ' A' ' 93' ' ' TYR . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 102' ' ' PHE . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.832 0.348 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' H ' ' A' ' 60' ' ' LEU . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 74' ' ' ILE . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.755 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.831 HD13 ' HD2' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.937 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 47' ' ' ILE . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 91' ' ' GLN . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.486 ' CG ' HD12 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.72 HD12 HG21 ' A' ' 117' ' ' VAL . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' OH ' ' A' ' 97' ' ' TYR . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 141' ' ' LEU . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.72 HG21 HD12 ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 62.9 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.828 0.347 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 108' ' ' LEU . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE2' ' CG ' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' OD1' ' CD ' ' A' ' 82' ' ' GLN . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD11 ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.62 ' HB3' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.436 ' HZ3' HD11 ' A' ' 74' ' ' ILE . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.599 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 67' ' ' ASN . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 77' ' ' HIS . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.45 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.74 ' HD2' HG23 ' A' ' 73' ' ' ILE . 91.2 m-70 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 94' ' ' ILE . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 91' ' ' GLN . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.623 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.867 ' HG3' HD11 ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.654 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 114' ' ' GLN . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.641 ' O ' HD13 ' A' ' 108' ' ' LEU . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 107' ' ' ILE . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.654 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.428 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 131' ' ' VAL . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 127' ' ' PHE . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 11.4 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.552 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 9.5 m-80 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 HG21 ' A' ' 64' ' ' VAL . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.598 HG21 HD23 ' A' ' 60' ' ' LEU . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.981 HG13 ' CE2' ' A' ' 127' ' ' PHE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 77' ' ' HIS . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 73' ' ' ILE . 90.2 m-70 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 50' ' ' GLN . 20.0 tp60 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 91' ' ' GLN . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.866 HD12 ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CG ' ' OD1' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 115' ' ' LYS . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.401 ' N ' HD11 ' A' ' 116' ' ' LEU . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.628 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.579 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.711 HD21 ' HD1' ' A' ' 127' ' ' PHE . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.981 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 127' ' ' PHE . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 20.9 p90 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.443 ' NE1' ' HA ' ' A' ' 140' ' ' GLN . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.436 HD11 ' HB1' ' A' ' 34' ' ' ALA . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.677 HG23 ' HE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.836 0.35 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD11 ' HG3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.44 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 60' ' ' LEU . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 74' ' ' ILE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 78.2 m-20 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 77' ' ' HIS . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.55 HD12 HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.441 ' HD2' HG23 ' A' ' 73' ' ' ILE . 74.1 m-70 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.677 ' HE3' HG23 ' A' ' 47' ' ' ILE . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.469 ' HA ' HD12 ' A' ' 94' ' ' ILE . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 91' ' ' GLN . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 101' ' ' ASP . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.59 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.659 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.492 ' HB ' HG22 ' A' ' 117' ' ' VAL . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.529 HD13 ' OH ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 107' ' ' ILE . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.794 ' O ' HG23 ' A' ' 131' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 127' ' ' PHE . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.443 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.405 HD21 ' HG3' ' A' ' 111' ' ' ARG . 7.1 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 141' ' ' LEU . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.414 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 47' ' ' ILE . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.81 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' HG22 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.6 t-20 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.882 HG12 ' CE3' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.882 ' CE3' HG12 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.539 HG12 HD12 ' A' ' 74' ' ' ILE . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.549 HG23 ' CD2' ' A' ' 77' ' ' HIS . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 73' ' ' ILE . 93.8 m-70 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.81 ' CE1' HD12 ' A' ' 47' ' ' ILE . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLN . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.682 HD12 ' CB ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.682 ' CB ' HD12 ' A' ' 99' ' ' LEU . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.577 HD11 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.653 ' CG ' HD11 ' A' ' 116' ' ' LEU . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 109' ' ' ASP . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.596 HD23 ' HH2' ' A' ' 65' ' ' TRP . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 132' ' ' THR . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 128' ' ' LEU . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 138' ' ' HIS . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.478 ' CD2' ' CD1' ' A' ' 134' ' ' PHE . 46.3 m-70 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 2.3 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' ILE . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 HD22 ' CG2' ' A' ' 105' ' ' VAL . 2.4 t-20 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.495 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 2.7 m-80 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HE2' ' A' ' 84' ' ' TYR . 28.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.858 0.361 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 127' ' ' PHE . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 77' ' ' HIS . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.477 HD12 HG12 ' A' ' 70' ' ' VAL . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 73' ' ' ILE . 89.3 m-70 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.458 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HE2' HG12 ' A' ' 52' ' ' VAL . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 99' ' ' LEU . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.425 ' CG2' HD22 ' A' ' 48' ' ' ASN . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 108' ' ' LEU . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.454 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.425 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.553 ' CE3' HD21 ' A' ' 122' ' ' LEU . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.553 HD21 ' CE3' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 127' ' ' PHE . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CE1' HG13 ' A' ' 70' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 132' ' ' THR . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.763 0.316 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.56 ' C ' HD12 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.498 HG21 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HE1' ' A' ' 85' ' ' HIS . 14.9 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.691 HD23 HG11 ' A' ' 64' ' ' VAL . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 HD21 ' A' ' 128' ' ' LEU . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 77' ' ' HIS . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.653 ' CD2' HG23 ' A' ' 73' ' ' ILE . 97.9 m-70 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.483 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.578 ' HE1' HG12 ' A' ' 52' ' ' VAL . 19.5 p-80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 94' ' ' ILE . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.5 ' OH ' HD22 ' A' ' 108' ' ' LEU . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.5 HD22 ' OH ' ' A' ' 97' ' ' TYR . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HA ' HD23 ' A' ' 108' ' ' LEU . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.481 HG21 ' CH2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.481 ' CH2' HG21 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.546 ' O ' HD12 ' A' ' 122' ' ' LEU . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 121' ' ' GLN . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 128' ' ' LEU . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.464 ' HB3' ' NE2' ' A' ' 130' ' ' GLN . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.487 HD21 HG22 ' A' ' 70' ' ' VAL . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 126' ' ' SER . 37.8 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 42' ' ' ASN . 1.4 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.871 0.367 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' SER . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 127' ' ' PHE . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.422 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.715 HG23 ' CD2' ' A' ' 77' ' ' HIS . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.715 ' CD2' HG23 ' A' ' 73' ' ' ILE . 77.9 m-70 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 107' ' ' ILE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 83' ' ' VAL . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.547 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 1.028 HG22 HD12 ' A' ' 116' ' ' LEU . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD21 ' OH ' ' A' ' 97' ' ' TYR . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB2' HD21 ' A' ' 116' ' ' LEU . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.028 HD12 HG22 ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 127' ' ' PHE . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 131' ' ' VAL . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 127' ' ' PHE . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.779 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.651 ' C ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 47' ' ' ILE . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.865 HG21 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.586 HD11 ' CD2' ' A' ' 93' ' ' TYR . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.562 ' OE1' ' CE1' ' A' ' 84' ' ' TYR . 1.2 tm0? -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 64' ' ' VAL . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD21 ' A' ' 128' ' ' LEU . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG23 ' CD2' ' A' ' 77' ' ' HIS . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 74' ' ' ILE . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' HG23 ' A' ' 73' ' ' ILE . 89.4 m-70 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 89' ' ' GLU . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HB3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.496 ' O ' HD12 ' A' ' 94' ' ' ILE . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.717 ' HA ' HD13 ' A' ' 94' ' ' ILE . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.865 ' CE1' HG21 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.717 HD13 ' HA ' ' A' ' 91' ' ' GLN . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.707 HD13 ' HE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 107' ' ' ILE . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 122' ' ' LEU . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 119' ' ' TRP . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.757 ' CE2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 132' ' ' THR . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.757 HG21 ' CE2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 128' ' ' LEU . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 42' ' ' ASN . 30.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 108' ' ' LEU . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 HD21 ' A' ' 45' ' ' LEU . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.65 ' OD1' HG22 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.605 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 50.1 m-80 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.474 HG12 ' CE1' ' A' ' 84' ' ' TYR . 27.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.677 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 77' ' ' HIS . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.613 ' CD2' HG23 ' A' ' 73' ' ' ILE . 93.0 m-70 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.605 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.494 ' OH ' HD13 ' A' ' 108' ' ' LEU . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.69 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.69 ' CZ ' HD11 ' A' ' 99' ' ' LEU . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.65 HG22 ' OD1' ' A' ' 48' ' ' ASN . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 117' ' ' VAL . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.576 ' HB3' HD23 ' A' ' 45' ' ' LEU . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 107' ' ' ILE . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 64' ' ' VAL . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.75 ' CD1' HD21 ' A' ' 122' ' ' LEU . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 122' ' ' LEU . 34.1 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.638 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' HE2' ' A' ' 84' ' ' TYR . 35.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 124' ' ' VAL . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 74' ' ' ILE . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD12 HG12 ' A' ' 70' ' ' VAL . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.613 ' CH2' HG21 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG21 ' CH2' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.538 ' HE2' HG12 ' A' ' 52' ' ' VAL . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 94' ' ' ILE . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 96' ' ' PHE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 91' ' ' GLN . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 117' ' ' VAL . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.738 ' N ' HD13 ' A' ' 108' ' ' LEU . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 128' ' ' LEU . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 124' ' ' VAL . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PHE . . . . . 0.519 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.519 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' HIS . . . . . 0.414 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -61.69 -59.52 5.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 157.25 43.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.08 104.65 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -71.12 135.85 47.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -124.15 138.64 54.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.63 89.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.2 mm -92.09 135.1 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -134.3 130.0 36.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mtpt -92.39 138.8 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptm -138.35 126.06 22.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -162.76 163.81 26.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -116.53 128.94 55.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.8 p -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.555 HD23 ' N ' ' A' ' 16' ' ' ALA . 6.2 tt -67.22 128.01 34.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' N ' HD23 ' A' ' 15' ' ' LEU . . . -152.24 148.02 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.597 ' HB3' ' CD1' ' A' ' 19' ' ' PHE . 11.9 t0 -168.26 178.04 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 19' ' ' PHE . 4.4 pp -59.62 -42.83 93.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.666 ' N ' HD12 ' A' ' 18' ' ' LEU . 0.1 OUTLIER -38.48 -25.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' LEU . 21.2 mtp85 -115.66 145.1 33.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.46 21.5 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.222 . . . . 0.0 112.359 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.0 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' HA ' ' CE ' ' A' ' 26' ' ' MET . 39.6 pt -54.5 -32.87 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' ILE . 3.7 m-20 -36.94 -40.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD22 HH21 ' A' ' 75' ' ' ARG . 20.8 tp -79.68 -53.91 6.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.421 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 23.7 mtm -70.77 106.07 3.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -70.04 169.5 13.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.809 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 154.48 38.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.04 48.87 2.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' NE1' ' A' ' 81' ' ' TRP . 25.7 p -130.32 147.62 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 0.0 110.804 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.584 ' CE2' ' HG3' ' A' ' 32' ' ' GLU . 33.9 p90 -91.42 -44.46 9.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' HG3' ' CE2' ' A' ' 31' ' ' PHE . 17.8 mt-10 -53.79 -54.13 42.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 19.5 m -52.43 -54.71 28.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.159 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.3 -60.58 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -64.63 -42.63 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -53.88 -66.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' GLY . 1.8 t -38.84 -51.08 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.71 -40.71 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -68.01 -67.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.462 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.9 mmt -48.93 -54.11 16.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -70.67 -23.47 62.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.481 ' HA ' HD22 ' A' ' 141' ' ' LEU . 9.9 m120 62.95 47.74 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -124.54 167.17 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -78.24 159.7 28.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.5 tp -112.9 119.21 37.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ttm -111.24 114.75 28.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG21 ' CE1' ' A' ' 93' ' ' TYR . 26.8 mm -93.64 143.1 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.07 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -139.18 116.34 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.581 HG13 ' CE2' ' A' ' 93' ' ' TYR . 49.7 mm -108.49 139.65 30.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -141.52 117.04 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.446 ' OD1' ' CE2' ' A' ' 102' ' ' PHE . 27.1 m-20 -60.71 151.56 29.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' ASN . 5.1 p -36.6 -41.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -76.05 114.51 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -82.91 15.28 2.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.61 -43.32 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.66 -39.99 35.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.9 t -64.4 -53.62 45.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -37.37 -35.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.5 t -62.7 -52.49 63.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB ' ' A' ' 64' ' ' VAL . 4.4 mp -71.24 -48.54 50.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -52.61 -12.23 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.9 tpm_? -70.27 -63.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.628 ' CG ' HG21 ' A' ' 124' ' ' VAL . 41.2 t0 -118.0 -38.0 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 59.7 t -49.49 -70.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 66' ' ' SER . 26.2 m95 -76.67 -48.52 18.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 8.1 t -37.79 -34.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.649 ' HB3' HG23 ' A' ' 70' ' ' VAL . 1.4 t-20 -52.34 107.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -49.98 -32.46 15.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -67.39 -43.49 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.649 HG23 ' HB3' ' A' ' 67' ' ' ASN . 85.4 t -62.74 -39.92 86.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.18 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -70.8 -44.04 67.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.81 -31.43 72.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.817 HG23 ' CD2' ' A' ' 77' ' ' HIS . 65.6 mt -80.24 -50.55 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.584 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 96.9 mt -61.77 -22.96 29.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.554 HH21 HD22 ' A' ' 25' ' ' LEU . 13.1 ptp180 -88.92 -38.28 14.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -85.4 -68.33 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.817 ' CD2' HG23 ' A' ' 73' ' ' ILE . 90.1 m-70 -56.48 -58.26 8.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 4.4 m-85 -103.75 178.11 4.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -104.5 102.28 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.45 108.22 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.405 ' NE1' ' O ' ' A' ' 30' ' ' SER . 47.7 t90 -142.09 109.64 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -126.09 142.59 51.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.5 m -150.34 137.72 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.8 153.79 43.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.506 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 8.4 p-80 -68.5 -46.1 70.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.506 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 6.6 t70 -45.29 -48.8 12.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.4 p -54.81 171.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -67.61 -57.72 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -45.19 -44.66 11.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.37 -47.36 80.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -51.34 -51.19 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 93' ' ' TYR . 36.0 mtp180 -61.97 -59.62 4.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 49' ' ' ILE . 66.7 t80 -35.61 -39.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.643 HG12 HD22 ' A' ' 99' ' ' LEU . 96.4 mt -54.69 -61.77 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.132 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -52.85 -34.28 53.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.419 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -48.05 -60.75 2.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 2.1 m-85 -108.25 12.74 26.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 94' ' ' ILE . 39.4 mmtt 55.45 43.88 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.804 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -57.09 157.19 6.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -154.22 -33.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.454 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.564 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.3 m-20 -104.0 172.03 7.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.804 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 1.2 m-85 -154.86 151.81 24.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.671 0.748 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.81 171.82 52.1 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.333 0.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -135.65 115.46 13.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 45.7 t -126.83 135.44 63.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.16 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 20.0 m -156.08 160.41 39.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.997 HD12 HG21 ' A' ' 117' ' ' VAL . 31.8 mt -110.4 115.99 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.9 tp -107.4 154.83 20.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 113' ' ' GLY . 6.3 t0 -95.83 122.04 59.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -97.96 -49.33 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.9 p -104.43 -35.39 7.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 78.84 37.3 26.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -115.09 125.52 53.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 120.99 7.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 32.8 mt -97.69 -40.94 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.997 HG21 HD12 ' A' ' 107' ' ' ILE . 26.5 m -134.49 155.69 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -141.14 125.96 18.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.617 ' HB2' HD21 ' A' ' 122' ' ' LEU . 7.2 m0 -133.07 130.73 39.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -88.48 -53.97 4.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -110.3 121.11 44.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.1 mm? -107.03 162.75 13.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.17 161.13 43.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.628 HG21 ' CG ' ' A' ' 63' ' ' ASP . 72.3 t -52.81 -44.94 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -80.35 -47.24 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 74.5 m -59.46 -62.31 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.584 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 27.1 t80 -40.21 -57.46 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.8 mt -54.31 -59.9 4.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -44.68 -56.64 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.471 ' HB3' ' CZ2' ' A' ' 119' ' ' TRP . 37.6 mt-30 -54.95 -60.76 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.5 t -50.13 -64.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 68.9 p -45.6 -46.56 14.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.96 -39.14 95.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.511 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 16.0 t80 -71.26 -39.47 71.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.51 -41.22 93.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.57 -34.16 32.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -71.09 -58.47 3.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.88 0.372 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.511 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 64.2 m-70 -83.19 -68.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 110.02 155.11 15.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.94 163.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.481 HD22 ' HA ' ' A' ' 42' ' ' ASN . 9.5 mp -55.79 171.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -104.69 155.55 18.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 148.78 -125.65 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 144' ' ' LEU . 4.5 pp -88.53 144.15 26.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.1 m -97.28 130.76 44.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.0 p -127.18 120.02 27.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.1 t -75.15 118.85 18.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.4 m -114.73 131.1 56.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.13 147.61 0.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 179.07 3.95 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 30.6 t -103.13 137.2 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 48.8 m -113.06 153.49 28.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.8 t -73.04 146.54 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -122.79 163.64 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.28 -165.09 32.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -130.43 102.56 6.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 m -121.53 158.08 29.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.77 97.23 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG13 ' N ' ' A' ' 9' ' ' ASP . 4.4 tp -106.83 144.42 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.815 0.34 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.448 ' N ' HG13 ' A' ' 8' ' ' ILE . 10.2 t70 -156.23 170.47 22.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -134.72 117.5 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -128.89 170.12 13.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.734 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.85 175.64 5.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -163.25 152.16 14.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.1 m -58.97 145.24 42.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -159.55 174.62 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 124.67 21.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.088 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -52.26 107.0 0.17 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mp -55.06 148.94 12.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -97.18 -43.72 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -130.88 134.22 25.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.604 0.716 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' O ' ' OD1' ' A' ' 24' ' ' ASP . 54.2 Cg_endo -69.75 143.72 51.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.392 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 5.97 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.1 5.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 21' ' ' PRO . 3.8 m-20 -58.78 -42.56 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' HG ' ' CD2' ' A' ' 80' ' ' PHE . 12.6 tp -78.66 -40.57 33.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -73.93 117.74 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -87.76 139.67 30.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.1 144.88 48.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.58 -99.44 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.8 m -151.47 145.05 24.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.491 ' CD1' ' HG2' ' A' ' 89' ' ' GLU . 25.3 p90 -45.73 -48.68 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.95 -46.89 61.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' GLU . 47.9 m -44.38 -60.01 2.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.055 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -77.1 -41.28 42.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 33' ' ' THR . 3.0 mm-40 -68.44 -59.58 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.9 p -41.35 -45.14 2.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.06 -38.58 25.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.464 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 26.2 mt-30 -68.87 -68.24 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 110.906 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 33.0 mtm -47.56 -49.36 26.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -75.87 -23.55 55.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.523 ' C ' HD22 ' A' ' 141' ' ' LEU . 2.5 m-80 65.66 47.67 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -129.88 151.32 50.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.528 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 74.8 m95 -63.73 172.33 2.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 47' ' ' ILE . 23.7 tp -131.82 115.11 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.6 ttm -101.69 112.33 24.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.601 HG21 ' CE2' ' A' ' 93' ' ' TYR . 39.3 mm -90.14 117.46 33.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -120.87 110.75 16.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HG21 ' HE2' ' A' ' 102' ' ' PHE . 50.0 mm -84.81 147.7 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -124.65 132.99 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -105.25 132.14 51.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -76.76 -34.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -86.44 -52.6 5.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.92 126.52 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 4.2 m-85 -81.67 -43.68 18.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.1 -39.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.045 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.2 m -58.18 -54.42 47.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 3.1 pt20 -66.24 -32.07 73.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 29.0 t -52.66 -33.62 47.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD23 HG21 ' A' ' 64' ' ' VAL . 9.8 mt -66.97 -59.93 3.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 65' ' ' TRP . 2.8 m120 -49.13 -17.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.6 ttt85 -55.16 -63.92 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.0 -27.95 6.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.659 HG21 HD23 ' A' ' 60' ' ' LEU . 65.1 t -61.8 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.58 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 26.5 m95 -83.73 18.02 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.3 t -103.19 -34.78 8.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -56.87 110.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -42.94 -41.44 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.52 -49.17 65.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.079 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.559 HG13 ' CE2' ' A' ' 127' ' ' PHE . 55.1 t -64.69 -48.03 86.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -49.98 -44.29 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.14 -20.66 64.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.502 HG23 ' HD2' ' A' ' 77' ' ' HIS . 30.3 mm -84.2 -45.7 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.58 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 68.1 mt -76.67 -14.78 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -92.84 -29.76 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -98.04 -68.25 0.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.502 ' HD2' HG23 ' A' ' 73' ' ' ILE . 86.9 m-70 -58.91 -57.69 11.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.821 ' CE1' HD21 ' A' ' 135' ' ' LEU . 8.9 m-85 -101.89 178.25 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.0 mm -110.4 104.95 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.565 ' CD2' ' HG ' ' A' ' 25' ' ' LEU . 12.7 t80 -52.8 112.23 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 15.9 t90 -142.56 106.2 4.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.42 142.49 43.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.475 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.3 m -157.23 133.79 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -74.44 126.31 30.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.451 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 14.9 p-80 -42.55 -46.29 4.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.911 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 3.2 t70 -44.59 -46.74 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 p -57.22 149.23 20.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -46.28 -57.41 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.491 ' HG2' ' CD1' ' A' ' 31' ' ' PHE . 89.5 mt-10 -43.5 -42.43 4.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.03 -45.47 72.35 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 94' ' ' ILE . 43.3 mm-40 -55.91 -47.09 78.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 10.9 ptt85 -61.09 -29.75 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.601 ' CE2' HG21 ' A' ' 47' ' ' ILE . 39.4 t80 -74.53 -36.69 63.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 91' ' ' GLN . 48.7 mt -61.24 -49.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.132 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.81 -32.88 74.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.581 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -42.61 -70.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.581 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -113.05 17.34 18.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' LEU . 0.1 OUTLIER 60.85 41.68 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 104' ' ' TYR . 4.1 tp -33.68 -69.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.523 ' H ' HG23 ' A' ' 94' ' ' ILE . . . 30.45 46.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 68.2 m-20 -157.82 141.14 15.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.351 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' HD21 ' A' ' 99' ' ' LEU . 3.2 m-85 -157.9 143.32 12.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.8 151.71 91.77 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 -1.823 . . . . 0.0 112.333 -0.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.592 ' CD2' ' CD1' ' A' ' 99' ' ' LEU . 31.6 t80 -134.55 145.24 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.568 HG21 HD12 ' A' ' 122' ' ' LEU . 87.3 t -149.42 122.6 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 50.8 p -142.11 164.96 28.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.541 HD12 ' CG2' ' A' ' 117' ' ' VAL . 24.5 mt -128.74 121.82 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.6 tp -104.01 149.91 24.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -94.61 125.03 53.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.502 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.76 -11.89 31.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.359 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 41.0 mtp85 -88.45 -58.06 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.7 p -91.91 -43.24 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.33 34.88 8.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -120.35 155.01 34.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.8 OUTLIER -63.52 126.16 26.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.87 -45.48 6.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.541 ' CG2' HD12 ' A' ' 107' ' ' ILE . 4.6 m -146.68 172.39 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -154.74 130.32 9.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.512 ' HE3' HD11 ' A' ' 122' ' ' LEU . 5.6 m0 -137.99 116.52 12.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -77.61 -38.05 48.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -124.2 122.37 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.568 HD12 HG21 ' A' ' 105' ' ' VAL . 20.3 mt -127.7 163.12 24.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -142.09 169.7 17.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -57.05 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 t -77.21 -48.75 16.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.9 t -50.56 -47.73 57.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.72 ' CZ ' HG21 ' A' ' 131' ' ' VAL . 64.3 t80 -55.3 -62.01 1.95 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 129' ' ' ASP . 10.1 mt -50.1 -63.73 1.02 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 128' ' ' LEU . 10.3 t0 -35.66 -53.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.4 -64.83 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 127' ' ' PHE . 66.0 t -46.94 -64.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.4 m -37.37 -45.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.32 -56.75 6.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 1.1 t80 -39.04 -41.44 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.821 HD21 ' CE1' ' A' ' 78' ' ' PHE . 11.7 mt -62.6 -56.57 16.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.58 -52.68 47.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -50.53 -62.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -62.02 -56.91 14.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.51 147.14 8.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -69.17 156.54 38.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.523 HD22 ' C ' ' A' ' 42' ' ' ASN . 4.9 mp -59.39 159.06 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.82 125.93 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.5 137.26 3.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -52.79 107.29 0.21 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.5 t -114.38 163.51 15.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.2 t -96.65 -56.23 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 12.5 p -42.59 -32.25 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.8 t -96.73 138.18 34.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.92 -114.96 1.08 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 101.61 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.32 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.3 t -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 57.5 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -86.24 -60.17 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.2 p -93.41 173.88 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.47 146.85 18.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 t -126.76 151.11 48.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.4 m -119.69 168.9 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.3 -107.61 2.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 9' ' ' ASP . 6.1 tp -100.39 146.04 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.116 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.451 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -97.92 164.35 12.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -125.96 150.58 47.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -101.74 113.74 27.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 mp -94.87 -47.31 6.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 13' ' ' THR . 18.2 m 66.03 41.11 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.468 ' C ' HD23 ' A' ' 15' ' ' LEU . 20.6 m -157.45 125.0 5.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -146.78 122.76 10.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -122.56 128.77 51.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.093 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.8 p-10 -140.77 102.08 4.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.59 ' N ' HD22 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -112.95 -37.97 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -59.3 -45.9 90.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -87.53 152.49 52.13 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.63 0.729 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 168.02 22.79 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 106.46 1.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.9 pt -116.92 10.9 7.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.23 -50.08 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.2 tp -77.4 -53.21 7.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.9 mtm -64.46 112.09 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -138.9 115.58 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 29' ' ' GLY . 11.6 tmtt? -146.65 145.34 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.463 ' N ' ' HD3' ' A' ' 28' ' ' LYS . . . 166.3 -103.07 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.486 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.9 m -112.58 134.68 53.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.569 ' CE2' ' HG2' ' A' ' 32' ' ' GLU . 24.8 p90 -55.3 -43.46 74.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HG2' ' CE2' ' A' ' 31' ' ' PHE . 13.9 mm-40 -54.5 -40.64 68.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 m -61.63 -44.43 96.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' A' ' 45' ' ' LEU . . . -40.75 -50.99 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? -71.68 -43.01 66.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -51.09 -57.97 7.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 44.6 m -51.79 -57.57 8.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.65 -36.65 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -67.96 -64.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.5 mmt -56.14 -49.87 72.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -67.41 -22.16 65.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.1 m120 62.46 47.76 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 79' ' ' ILE . 53.2 mttm -128.1 171.52 11.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.7 m95 -84.94 152.41 23.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 HD11 ' HB1' ' A' ' 34' ' ' ALA . 55.9 tp -102.32 129.63 48.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.1 ttm -116.35 107.48 14.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.588 HG21 ' CE1' ' A' ' 93' ' ' TYR . 39.4 mm -88.56 134.86 27.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -141.39 120.85 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 31.2 mm -110.76 135.55 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pm0 -114.35 142.06 46.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' ND2' ' HB2' ' A' ' 54' ' ' ASP . 14.7 p-10 -98.97 142.33 30.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.4 m -85.86 -37.13 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -58.18 -53.08 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB2' ' ND2' ' A' ' 51' ' ' ASN . 15.9 m-20 -118.62 157.72 26.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.484 ' CB ' ' HG2' ' A' ' 58' ' ' GLN . 3.1 m-85 -98.43 103.29 15.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -97.93 -68.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 t -51.64 -28.41 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -54.81 -34.72 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.468 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 12.1 t -73.55 -58.94 2.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.668 HD23 ' O ' ' A' ' 122' ' ' LEU . 4.0 mp -59.06 -58.01 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 21.5 t-20 -42.31 -29.79 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.2 ttt85 -44.9 -62.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.98 -36.92 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.6 t -50.6 -68.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CZ3' HD11 ' A' ' 74' ' ' ILE . 16.2 m95 -81.17 17.83 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 34.7 t -94.12 -33.15 13.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.1 126.34 28.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -57.41 -45.02 85.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' ILE . . . -47.9 -46.75 32.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.706 HG13 ' CE2' ' A' ' 127' ' ' PHE . 47.1 t -65.69 -40.85 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -63.11 -62.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 73.9 m-20 -48.57 -24.65 1.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.545 HG23 ' CD2' ' A' ' 77' ' ' HIS . 60.3 mt -83.39 -46.16 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CZ3' ' A' ' 65' ' ' TRP . 95.7 mt -64.93 -17.5 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 27.4 ptt85 -93.1 -45.14 8.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.7 tt0 -80.64 -68.01 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.545 ' CD2' HG23 ' A' ' 73' ' ' ILE . 92.9 m-70 -57.86 -46.85 84.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.499 ' HE2' HD13 ' A' ' 107' ' ' ILE . 16.1 m-85 -117.49 177.47 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.415 HD11 ' HD2' ' A' ' 43' ' ' LYS . 45.6 mm -114.89 103.34 15.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -57.32 102.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.521 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 90.5 t90 -142.05 104.06 4.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -121.92 145.55 47.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.2 m -145.59 148.16 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -73.07 156.16 39.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 10.8 p80 -69.74 -46.9 64.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.8 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.465 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 37.9 m-20 -49.33 -37.21 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 p -52.15 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.97 -39.2 43.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 90' ' ' GLY . 4.9 pm0 -74.71 -28.85 60.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.448 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -67.35 -40.29 91.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -63.35 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -40.26 -57.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 47' ' ' ILE . 81.2 t80 -44.11 -48.84 9.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 91' ' ' GLN . 84.6 mt -46.52 -49.45 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 96' ' ' PHE . 89.4 mt-30 -63.47 -41.55 98.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.611 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.4 t80 -35.59 -66.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.611 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.7 OUTLIER -112.21 17.79 19.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm 54.26 42.6 31.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.705 HD23 ' C ' ' A' ' 99' ' ' LEU . 2.4 tt -53.77 144.03 19.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.494 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -158.42 43.65 0.48 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.52 161.74 21.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.369 . . . . 0.0 110.863 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.543 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 41.2 m-85 -155.55 151.19 21.78 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.855 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.648 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.3 Cg_endo -69.82 170.64 57.79 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.628 -1.821 . . . . 0.0 112.337 0.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -135.24 136.69 41.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 66.4 t -151.93 122.51 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -145.43 156.0 43.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.499 HD13 ' HE2' ' A' ' 78' ' ' PHE . 99.2 mt -104.96 112.02 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.0 tp -107.04 148.61 28.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -94.89 125.45 50.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.862 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -3.58 12.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.1 mtp85 -95.53 -56.47 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -100.45 -35.36 9.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 77.92 38.07 27.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -109.34 122.49 47.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' HB3' ' NZ ' ' A' ' 115' ' ' LYS . 1.9 ttpm? -55.57 108.74 0.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.5 mt -83.54 -55.62 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.954 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.428 HG22 ' HB ' ' A' ' 107' ' ' ILE . 12.0 m -126.34 161.42 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -150.3 133.26 16.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.772 ' HB2' HD21 ' A' ' 122' ' ' LEU . 4.3 m0 -137.07 152.73 50.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -95.15 -56.25 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -119.96 124.8 46.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.772 HD21 ' HB2' ' A' ' 119' ' ' TRP . 4.2 mm? -110.11 140.68 43.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 1.3 m-20 -119.99 167.06 12.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 88.0 t -50.72 -63.07 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.8 t -70.42 -57.01 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.1 t -45.56 -54.65 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.706 ' CE2' HG13 ' A' ' 70' ' ' VAL . 87.6 t80 -46.32 -60.01 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.0 mt -53.26 -59.26 4.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.0 -46.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -72.19 -53.98 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.941 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 127' ' ' PHE . 99.4 t -55.93 -64.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.7 p -40.26 -56.42 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.86 -44.46 97.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -56.61 -43.55 80.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.7 mt -54.71 -49.58 70.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.28 -41.59 59.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -50.78 -55.67 15.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -91.61 -60.12 1.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.86 151.66 13.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.44 165.31 4.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.86 171.32 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.1 t70 62.53 32.43 16.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.3 -107.53 3.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.491 HD12 ' HB2' ' A' ' 146' ' ' SER . 3.6 pp -112.16 156.89 21.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.781 0.324 . . . . 0.0 110.945 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 144' ' ' LEU . 4.9 m -34.12 -58.35 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.491 ' HB2' HD12 ' A' ' 144' ' ' LEU . 6.0 t 60.53 39.96 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.8 t -150.81 141.65 22.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.3 m -91.2 -53.71 4.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 58.63 116.27 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.542 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 90.47 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.691 2.26 . . . . 0.0 112.331 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 28.6 p -140.7 175.77 9.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 55.3 p -84.26 -28.49 27.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.0 p -148.54 164.55 33.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.9 0.381 . . . . 0.0 110.881 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -167.7 152.81 6.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.01 -177.12 18.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -164.34 171.09 15.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -148.48 176.53 10.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.835 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 158.52 27.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 9' ' ' ASP . 5.6 tp -108.62 146.68 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.167 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' N ' HG13 ' A' ' 8' ' ' ILE . 3.9 p30 -124.79 169.49 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -93.42 108.28 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -79.42 -36.19 39.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.47 143.33 53.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.8 t -133.96 156.08 48.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.2 m -52.99 124.27 13.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 16' ' ' ALA . 5.4 tp -167.84 151.99 6.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.504 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . -66.39 147.85 52.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -95.47 -65.16 0.99 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.59 170.3 10.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 2.1 m-85 -117.73 -37.53 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -67.43 147.14 98.86 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.629 0.728 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 169.91 17.79 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.689 2.26 . . . . 0.0 112.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.3 Cg_endo -69.82 0.56 5.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.293 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' PRO . 3.9 pt 35.14 32.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' PRO . 17.1 m-20 -40.57 -54.42 2.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD11 ' HB3' ' A' ' 71' ' ' LYS . 11.8 mt -85.58 -61.7 1.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 mtm -54.92 149.51 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.3 m-70 -157.21 149.29 22.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HE2' HG21 ' A' ' 33' ' ' THR . 14.1 ttpt -51.95 134.07 32.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -51.72 -36.96 41.73 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.476 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.1 m -52.89 129.6 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.902 0.382 . . . . 0.0 110.819 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.578 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 49.9 t80 -71.27 -58.14 3.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -39.2 -47.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.488 HG21 ' HE2' ' A' ' 28' ' ' LYS . 37.4 m -55.09 -45.8 75.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.8 -51.61 55.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 13.2 mtpp -54.97 -52.52 62.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -56.02 -48.36 76.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 m -60.16 -43.23 95.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.2 29.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.483 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 145' ' ' SER . 38.1 mt-30 -69.68 -64.08 0.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 41' ' ' GLN . 11.5 ptp -46.65 -42.11 15.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.417 ' N ' ' HG3' ' A' ' 40' ' ' MET . 89.2 mt-30 -78.67 -19.24 52.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' HG ' ' A' ' 141' ' ' LEU . 88.7 m-20 64.07 47.83 3.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -137.24 144.85 42.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -58.28 170.8 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.5 tp -118.49 122.89 43.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 29.6 tpp -114.69 120.28 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.0 mt -115.44 136.13 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -136.05 111.84 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -82.1 111.19 18.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.615 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 7.5 pt20 -79.23 104.18 9.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.46 ' ND2' ' HB3' ' A' ' 102' ' ' PHE . 2.4 p30 -82.99 115.57 21.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.623 HG23 ' OE1' ' A' ' 53' ' ' GLN . 27.7 m -72.97 -29.85 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.623 ' OE1' HG23 ' A' ' 52' ' ' VAL . 4.5 mm100 -74.78 -57.84 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -66.72 148.44 51.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 56' ' ' ALA . 98.5 m-85 -96.39 -38.13 10.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.13 -66.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 t -39.79 -60.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.919 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -41.54 -59.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.1 t -42.26 -48.51 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -58.92 -61.11 2.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -40.7 -27.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 60' ' ' LEU . 3.3 tpm_? -47.7 -62.85 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.411 ' HA ' ' HB3' ' A' ' 66' ' ' SER . 4.3 m-20 -118.03 -35.53 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.44 HG12 ' CE3' ' A' ' 65' ' ' TRP . 71.9 t -53.15 -68.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.44 ' CE3' HG12 ' A' ' 64' ' ' VAL . 15.1 m95 -84.6 18.01 2.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.411 ' HB3' ' HA ' ' A' ' 63' ' ' ASP . 6.4 t -112.0 -36.85 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -52.93 114.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -45.01 -53.43 7.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -42.37 -52.45 4.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.801 HG22 HD21 ' A' ' 128' ' ' LEU . 79.4 t -59.05 -44.99 92.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.541 ' HB3' HD11 ' A' ' 25' ' ' LEU . 53.2 mttt -59.74 -43.97 93.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.77 -28.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 77' ' ' HIS . 81.7 mt -82.27 -42.54 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.475 ' CD1' HG12 ' A' ' 70' ' ' VAL . 64.0 mt -71.79 -11.74 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -101.26 -38.02 8.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -86.32 -62.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.669 ' HD2' HG23 ' A' ' 73' ' ' ILE . 90.1 m-70 -68.38 -46.63 69.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.9 m-85 -116.06 179.42 3.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.74 111.43 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -65.22 106.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 83' ' ' VAL . 44.8 t90 -138.18 105.06 5.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.413 ' NE2' ' NE2' ' A' ' 50' ' ' GLN . 25.8 tt0 -115.83 144.52 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.7 m -155.59 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.615 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 72.9 m-85 -89.69 153.53 20.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -80.59 15.34 1.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.834 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -112.42 -37.3 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 43.3 p -61.49 162.69 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -58.95 -49.94 75.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -57.45 -52.91 63.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -46.38 -63.13 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' GLY . 37.2 mm-40 -35.82 -43.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.928 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -47.32 -56.58 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -53.24 -48.87 67.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -55.84 -55.77 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -60.65 -35.71 76.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.6 OUTLIER -42.64 -64.45 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 65.8 m-85 -108.38 16.78 22.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp 52.81 46.67 26.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.571 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.1 tt -51.98 150.52 4.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.98 36.11 0.5 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.514 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 26.9 t0 -162.51 172.36 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.55 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 89.6 m-85 -163.6 153.29 12.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.719 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.83 167.68 70.4 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 -1.813 . . . . 0.0 112.337 0.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -135.64 130.17 33.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.47 113.04 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.4 m -135.73 150.97 49.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.601 HD12 HG21 ' A' ' 117' ' ' VAL . 54.1 mt -106.73 127.41 62.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 115' ' ' LYS . 38.9 mt -113.81 152.91 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -95.06 125.0 52.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.871 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.433 ' HG2' HD11 ' A' ' 141' ' ' LEU . 53.6 Cg_endo -69.82 -6.71 19.28 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.221 . . . . 0.0 112.357 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -93.11 -52.62 4.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 72.0 p -101.66 -39.68 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.95 37.82 12.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -120.09 139.51 52.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -57.9 131.47 50.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.3 mt -113.65 -37.21 4.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.601 HG21 HD12 ' A' ' 107' ' ' ILE . 7.9 m -136.24 160.37 38.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 118' ' ' GLU . 3.2 pp20? -146.79 121.02 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.3 m0 -127.6 170.62 12.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -155.63 135.79 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 64.61 47.97 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.7 mm? -57.74 177.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -153.83 162.48 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.887 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.7 t -45.22 -57.29 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.6 t -77.28 -60.3 2.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.2 m -40.02 -53.74 2.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.494 ' CE2' HG13 ' A' ' 70' ' ' VAL . 89.4 t80 -50.84 -59.91 3.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.801 HD21 HG22 ' A' ' 70' ' ' VAL . 23.8 mt -51.81 -46.79 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.63 -51.28 67.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -57.56 -45.67 84.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.458 HG12 HD11 ' A' ' 135' ' ' LEU . 86.8 t -65.48 -64.4 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.2 p -40.17 -45.66 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.73 -47.8 31.48 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.676 ' CD2' ' CD2' ' A' ' 138' ' ' HIS . 7.6 t80 -54.97 -50.82 68.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.458 HD11 HG12 ' A' ' 131' ' ' VAL . 26.4 mt -48.28 -42.01 29.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.83 -40.92 24.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -63.77 -59.42 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.676 ' CD2' ' CD2' ' A' ' 134' ' ' PHE . 10.4 m-70 -76.5 -55.24 5.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 111.62 171.36 19.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 141' ' ' LEU . 3.8 mm-40 -78.89 168.25 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.433 HD11 ' HG2' ' A' ' 110' ' ' PRO . 3.4 mm? -37.43 -59.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t70 52.21 37.09 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -136.33 141.35 12.4 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 144' ' ' LEU . 2.4 pt? -85.8 134.97 33.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.431 ' CB ' ' HB3' ' A' ' 39' ' ' GLN . 23.3 t -140.92 133.95 29.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.6 p -72.88 134.05 44.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.8 t -134.56 154.65 51.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.2 t -167.48 155.29 9.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -161.51 66.53 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 86.88 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 69.5 m -143.19 172.7 12.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.8 m -146.26 122.81 11.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.881 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -129.24 177.39 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -164.18 175.28 10.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.56 160.57 31.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.53 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.2 p -161.67 163.73 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -146.95 165.1 30.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.81 92.55 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.8 mt -93.07 -46.56 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 13.8 m-20 -85.02 144.68 28.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 6.0 mptt -149.03 112.54 5.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.38 113.06 11.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.6 mt -147.8 170.01 18.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.8 p -94.38 153.09 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.3 p -94.92 -60.24 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.121 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.0 mt -144.77 111.76 5.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -143.5 171.09 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.593 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 23.3 t0 -104.42 178.7 4.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.64 -70.06 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.593 ' CE1' ' HB3' ' A' ' 17' ' ' ASP . 4.2 m-85 61.55 37.45 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.0 mtp85 -154.72 152.27 25.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.91 20.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 97.94 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.348 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -111.91 4.44 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 23' ' ' ILE . 2.3 m-20 -37.19 -46.0 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 tp -83.66 -56.47 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 mtm -66.9 110.67 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -108.48 123.08 48.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -123.68 138.18 54.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.73 -155.62 26.36 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -81.83 163.64 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' CD2' ' N ' ' A' ' 32' ' ' GLU . 48.5 p90 -74.44 -46.94 36.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' N ' ' CD2' ' A' ' 31' ' ' PHE . 12.8 tt0 -50.36 -34.5 24.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' LYS . 41.2 m -57.91 -54.53 45.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -35.61 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 7.1 mtmp? -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 14.2 pt-20 -61.57 -45.28 94.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 6.7 t -52.57 -45.8 66.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA3' ' CB ' ' A' ' 110' ' ' PRO . . . -49.89 -39.45 32.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -64.37 -64.12 0.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.8 mmt -52.85 -55.64 21.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -69.02 -21.55 64.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' GLY . 15.4 m-80 63.03 47.83 4.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -127.38 155.73 43.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -69.71 169.89 11.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 47' ' ' ILE . 51.7 tp -114.04 127.77 56.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.1 ttm -135.21 108.29 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.446 HD11 HD21 ' A' ' 45' ' ' LEU . 4.8 mp -100.49 152.7 4.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' N ' HG22 ' A' ' 47' ' ' ILE . 27.4 m120 -140.73 113.4 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.615 HD11 ' CD2' ' A' ' 93' ' ' TYR . 42.7 mm -81.68 105.57 11.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.594 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 8.4 pt20 -81.85 108.84 15.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.57 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 4.2 m120 -78.93 104.58 9.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -62.66 -32.23 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -86.72 -55.63 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.35 158.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 56' ' ' ALA . 7.7 t80 -107.73 -37.99 5.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -34.68 -56.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' GLN . 9.1 t -43.59 -61.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' CYS . 6.9 mm100 -36.82 -61.59 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.3 t -44.17 -48.94 9.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.96 -52.69 64.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 12.3 t-20 -57.82 -11.54 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 66' ' ' SER . 33.5 ttt180 -63.07 -56.29 18.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.471 ' HB2' HG21 ' A' ' 124' ' ' VAL . 0.0 OUTLIER -118.01 -37.99 3.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.451 HG12 ' CE3' ' A' ' 65' ' ' TRP . 19.7 t -57.64 -69.81 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.465 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 7.1 m95 -82.63 18.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 3.2 t -111.51 -32.18 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 70' ' ' VAL . 6.1 t-20 -58.55 109.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' ' 71' ' ' LYS . 2.2 tt0 -41.55 -54.62 3.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.79 13.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG23 ' HB3' ' A' ' 67' ' ' ASN . 93.0 t -60.74 -27.56 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HG2' ' HA ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -71.53 -56.98 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.444 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -57.69 -22.15 44.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 84.8 mt -81.41 -48.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 78' ' ' PHE . 96.8 mt -63.41 -16.42 18.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 19.0 ptt180 -97.74 -47.98 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 19.4 tt0 -71.38 -67.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.412 ' HB3' HD21 ' A' ' 135' ' ' LEU . 94.4 m-70 -65.47 -41.34 93.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 74' ' ' ILE . 4.3 m-85 -121.19 178.74 4.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.7 mm -109.95 102.25 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -58.69 104.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -142.66 102.03 3.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . 6.9 pt20 -112.62 155.69 23.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 82' ' ' GLN . 26.9 m -157.66 146.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.594 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 83.8 m-85 -73.1 149.18 43.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -79.5 15.84 1.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -36.53 5.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 85.6 p -63.86 178.54 0.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -64.77 -69.52 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -44.11 -57.12 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.88 -50.55 6.02 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -50.79 -39.59 53.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 9.5 mmm180 -61.71 -58.32 8.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.615 ' CD2' HD11 ' A' ' 49' ' ' ILE . 46.8 t80 -37.9 -42.01 0.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 88.2 mt -54.15 -63.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.474 ' HG3' ' N ' ' A' ' 96' ' ' PHE . 7.0 pt20 -57.66 -37.13 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.474 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 2.7 t80 -45.14 -59.4 2.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.452 ' CE1' ' CE1' ' A' ' 93' ' ' TYR . 1.4 m-85 -106.93 9.24 30.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 94' ' ' ILE . 27.3 mmmt 58.07 47.25 14.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.675 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.4 tt -52.28 151.73 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -150.12 -34.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -119.89 170.61 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.675 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 2.2 m-85 -142.77 154.56 62.68 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.3 Cg_endo -69.79 171.55 53.29 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.751 -1.77 . . . . 0.0 112.329 0.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -135.98 124.94 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 58.2 t -142.91 133.94 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.7 p -152.97 138.7 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.804 HD12 HG21 ' A' ' 117' ' ' VAL . 52.1 mt -97.72 133.74 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 107' ' ' ILE . 6.3 mp -133.5 165.53 24.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -96.9 131.06 28.56 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.629 0.728 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.443 ' CB ' ' HA3' ' A' ' 38' ' ' GLY . 53.8 Cg_endo -69.78 -4.82 14.81 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -97.73 -51.97 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 64.1 p -97.88 -41.03 8.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.06 38.27 11.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -112.39 141.94 45.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.911 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 115' ' ' LYS . 1.3 tmmt? -68.76 124.04 22.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 mt -102.93 -36.47 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.804 HG21 HD12 ' A' ' 107' ' ' ILE . 15.4 m -140.43 154.17 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -139.19 124.22 18.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.496 ' HB2' HD21 ' A' ' 122' ' ' LEU . 13.2 m0 -126.15 124.18 39.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -76.58 -46.24 27.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.825 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.512 ' C ' HD22 ' A' ' 122' ' ' LEU . 4.5 mt-30 -120.45 142.48 49.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.512 HD22 ' C ' ' A' ' 121' ' ' GLN . 3.9 mm? -128.5 144.79 51.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 32.9 t0 -137.26 171.29 14.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.487 ' O ' HD12 ' A' ' 128' ' ' LEU . 97.4 t -60.32 -51.52 72.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.8 t -76.09 -46.21 30.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 45.0 m -59.65 -57.29 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.55 ' CE1' HG21 ' A' ' 131' ' ' VAL . 47.1 t80 -47.9 -63.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 124' ' ' VAL . 28.3 mt -52.53 -53.3 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -49.26 -47.62 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -66.78 -63.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 127' ' ' PHE . 79.8 t -44.4 -57.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 50.4 p -50.44 -34.48 24.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.56 -46.05 10.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -60.8 -50.17 74.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.412 HD21 ' HB3' ' A' ' 77' ' ' HIS . 20.6 mt -47.16 -46.33 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -75.96 -51.4 7.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -50.14 -53.97 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -82.69 -58.6 2.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.06 136.71 8.0 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.515 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -59.39 160.97 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.1 mp -51.84 -47.9 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -75.29 135.5 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.64 92.52 1.22 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.47 142.52 36.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.853 0.358 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 11.4 m -66.75 -44.4 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 61.1 p -107.49 175.29 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 69.7 p -134.38 172.54 12.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.1 m -126.95 175.94 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 124.46 143.44 6.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -177.47 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.5 m -86.27 158.78 19.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.9 m -79.02 -58.51 3.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -157.7 163.75 37.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.878 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -158.9 158.04 32.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.48 160.38 27.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -142.63 158.28 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.859 0.361 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -155.74 152.96 29.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' C ' HG13 ' A' ' 8' ' ' ILE . . . 151.24 127.43 1.38 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.46 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 7' ' ' GLY . 28.6 mt -141.66 125.79 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.837 0.351 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -147.54 131.47 17.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mtmm -124.51 120.36 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -153.12 113.16 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 pp -145.39 140.05 27.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.6 m -137.34 124.62 21.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 79.0 m -156.86 128.76 7.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.971 HD13 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.62 146.37 53.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' N ' HD22 ' A' ' 15' ' ' LEU . . . -167.78 159.02 11.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -71.49 138.96 49.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -75.57 120.71 21.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -111.4 -30.29 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.78 156.4 9.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.565 0.697 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 169.23 19.46 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.683 2.255 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 97.39 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.256 . . . . 0.0 112.311 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 pt -76.48 7.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.12 -41.76 93.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.529 HD13 ' HB3' ' A' ' 75' ' ' ARG . 13.3 tp -72.78 -59.19 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.23 -14.52 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.5 t60 52.12 39.59 26.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -56.36 137.04 53.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.14 -93.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.564 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.7 m -138.14 164.05 30.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.854 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 81' ' ' TRP . 15.6 t80 -86.3 -51.39 6.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.0 pt-20 -55.33 -37.41 67.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.519 HG22 ' SG ' ' A' ' 37' ' ' CYS . 63.5 m -60.71 -52.38 65.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.77 -31.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . 10.4 mtmm -75.07 -53.14 9.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 8.9 pt-20 -65.05 -46.86 79.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' HG22 ' A' ' 33' ' ' THR . 1.7 m -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -62.86 -48.72 78.62 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -51.35 -42.62 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.9 mmt -41.12 -57.13 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 17.4 mm-40 -100.13 16.82 22.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.87 47.88 23.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.665 ' HE3' HD11 ' A' ' 79' ' ' ILE . 50.6 mtmt -101.45 143.46 31.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.513 ' CD2' HD11 ' A' ' 141' ' ' LEU . 96.3 m95 -69.82 156.35 39.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.1 tp -105.63 127.15 52.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.489 ' CE ' HD11 ' A' ' 107' ' ' ILE . 2.2 ttm -123.08 111.86 17.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.656 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 43.8 mm -101.54 152.6 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 47' ' ' ILE . 16.6 m120 -143.11 129.31 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.1 mm -113.76 111.3 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 84' ' ' TYR . 3.8 pm0 -92.54 132.04 37.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -102.19 107.43 18.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -52.67 -31.16 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -71.59 -65.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -64.4 144.63 57.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.451 ' O ' ' C ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -91.77 -55.42 3.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.77 -42.26 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.3 t -55.33 -64.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -54.69 -33.04 60.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.426 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 17.5 t -50.74 -39.22 51.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 62' ' ' ARG . 6.1 mt -58.35 -60.73 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -46.02 -19.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 22.2 ttt180 -55.68 -63.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -118.02 -35.63 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG12 ' CD2' ' A' ' 65' ' ' TRP . 96.0 t -53.31 -71.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.436 ' CD2' HG12 ' A' ' 64' ' ' VAL . 14.7 m95 -84.11 17.93 2.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 27.6 t -112.76 -32.52 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -57.38 113.84 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -43.27 -43.17 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.45 -39.84 64.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.611 HG12 ' CD1' ' A' ' 74' ' ' ILE . 61.0 t -79.27 -45.84 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -56.14 -51.11 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -55.78 -28.9 58.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG23 ' CD2' ' A' ' 77' ' ' HIS . 85.1 mt -83.22 -42.08 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.611 ' CD1' HG12 ' A' ' 70' ' ' VAL . 76.4 mt -71.89 -13.1 16.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.529 ' HB3' HD13 ' A' ' 25' ' ' LEU . 45.5 ptt85 -97.85 -44.57 6.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 11.3 tp10 -78.19 -68.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' CD2' HG23 ' A' ' 73' ' ' ILE . 98.5 m-70 -62.51 -45.16 94.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.498 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 5.9 m-85 -117.33 178.65 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.665 HD11 ' HE3' ' A' ' 43' ' ' LYS . 35.4 mm -113.53 106.32 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -65.39 105.81 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CZ2' ' HB2' ' A' ' 31' ' ' PHE . 41.8 t90 -142.4 106.74 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.1 pm0 -130.77 156.05 45.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.6 m -152.07 138.98 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 50' ' ' GLN . 15.0 m-85 -64.02 129.42 39.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.494 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 3.9 p80 -43.95 -45.29 7.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.494 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 24.0 t0 -53.61 -47.54 70.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.8 p -52.91 154.44 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 12.5 pt-20 -55.32 -44.16 75.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 31.4 mm-40 -56.29 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.37 -50.15 67.1 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 94' ' ' ILE . 62.7 mm-40 -47.27 -48.48 24.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -58.04 -60.86 3.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.656 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 29.7 t80 -40.95 -45.25 2.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 91' ' ' GLN . 96.4 mt -46.56 -62.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -48.91 -42.4 36.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.421 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 1.1 m-85 -111.3 14.61 21.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.95 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 24.8 mmtp 54.43 43.71 29.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.938 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CE2' ' A' ' 102' ' ' PHE . 3.7 tt -52.04 155.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.38 -30.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -103.15 166.61 10.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CE2' HD21 ' A' ' 99' ' ' LEU . 1.0 OUTLIER -149.63 152.64 35.38 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.652 0.739 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.8 168.35 67.92 Favored 'Cis proline' 0 C--O 1.232 0.19 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.343 0.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.579 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.0 t80 -135.77 118.18 15.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 51.9 t -143.49 138.41 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.7 p -159.58 157.56 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.489 HD11 ' CE ' ' A' ' 46' ' ' MET . 92.6 mt -110.06 109.47 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 115' ' ' LYS . 4.1 tp -95.78 160.6 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -97.44 124.15 49.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.587 0.708 . . . . 0.0 110.847 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -13.1 34.22 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -90.25 -51.6 5.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 73.3 p -98.02 -44.74 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.36 36.99 10.11 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.517 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -118.73 130.2 55.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.884 0.373 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . 0.7 OUTLIER -54.69 111.69 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.25 -45.03 8.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 23.7 m -125.2 161.27 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -149.19 120.84 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 10.8 m0 -122.44 126.72 48.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -78.19 -61.52 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.405 ' C ' HD22 ' A' ' 122' ' ' LEU . 10.0 tt0 -116.74 129.97 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 119' ' ' TRP . 3.5 mm? -117.59 173.52 6.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -151.02 174.26 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' O ' HD12 ' A' ' 128' ' ' LEU . 82.3 t -63.0 -55.5 23.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -77.44 -46.64 21.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 9.0 t -53.5 -60.37 3.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.608 ' CE2' HG21 ' A' ' 131' ' ' VAL . 92.9 t80 -42.24 -62.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 124' ' ' VAL . 13.5 mt -43.45 -54.93 4.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -47.26 -47.23 25.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -64.69 -57.98 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.608 HG21 ' CE2' ' A' ' 127' ' ' PHE . 94.5 t -53.64 -63.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 58.1 p -41.44 -45.13 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.92 -35.24 54.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.418 ' CE2' ' ND1' ' A' ' 138' ' ' HIS . 5.2 t80 -64.38 -39.14 93.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.9 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 18.6 mt -55.33 -45.76 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -80.5 -43.3 9.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.12 -48.82 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.418 ' ND1' ' CE2' ' A' ' 134' ' ' PHE . 14.7 m170 -88.06 -47.43 8.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 100.28 -173.99 25.74 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -91.01 129.1 37.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.513 HD11 ' CD2' ' A' ' 44' ' ' TRP . 10.3 mp -38.33 -50.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -39.01 -49.48 1.72 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.6 -179.49 47.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.585 ' H ' HD12 ' A' ' 144' ' ' LEU . 5.6 mp -64.35 172.55 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.75 0.309 . . . . 0.0 110.963 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 35.3 p -83.62 109.77 17.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 76.1 p -59.28 -49.45 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.1 m -67.56 165.6 16.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.8 t -144.98 167.95 21.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 141.44 152.61 5.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 7.84 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 44.8 t -97.13 149.5 21.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.849 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 16.8 m 67.14 43.22 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.5 p -164.98 164.84 20.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -166.38 168.45 14.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.51 146.07 4.32 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.53 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.9 p -167.38 156.93 10.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -153.36 139.94 18.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.63 98.83 2.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.551 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.33 113.05 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.67 118.86 21.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.8 tttp -141.08 123.82 16.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -118.86 129.11 55.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.53 2.65 47.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.5 p -69.46 114.46 7.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 m -138.18 134.38 34.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -146.29 146.58 30.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.41 126.01 26.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.572 ' HB2' HD12 ' A' ' 18' ' ' LEU . 8.1 m-20 -88.03 -45.99 9.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.1 mp -106.58 177.16 4.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CG ' ' O ' ' A' ' 18' ' ' LEU . 46.3 p90 46.7 32.03 1.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -80.03 143.75 57.84 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.676 0.75 . . . . 0.0 110.845 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 147.11 61.78 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.623 2.215 . . . . 0.0 112.338 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' C ' HG12 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.75 2.65 3.33 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.6 pt 38.79 31.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -39.22 -55.78 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 80' ' ' PHE . 7.2 mt -81.29 -56.64 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.4 mtm -53.08 106.3 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -113.73 108.68 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -59.22 -37.14 76.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 28' ' ' LYS . . . 32.18 -132.59 0.2 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.446 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.04 157.05 9.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -49.28 -49.25 44.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -88.19 -47.6 8.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' GLU . 85.9 m -48.44 -50.91 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.145 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.61 -45.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.7 mtmm -73.44 -40.9 63.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 33' ' ' THR . 22.6 mm-40 -54.94 -59.57 4.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.419 ' O ' ' C ' ' A' ' 38' ' ' GLY . 16.8 m -40.01 -53.38 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.76 -40.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -64.64 -67.03 0.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -59.45 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -65.97 -21.23 66.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.4 m120 63.48 47.46 3.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -130.23 171.89 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -86.76 157.67 19.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.7 tp -102.25 126.18 49.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.4 tpp -113.28 115.08 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 50.9 mm -87.64 141.72 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -144.39 112.15 6.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.8 mm -105.95 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.15 129.98 38.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -71.9 163.5 27.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 52' ' ' VAL . 2.9 m -72.55 -36.51 54.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 52' ' ' VAL . 5.4 pt20 -155.08 117.39 4.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -164.66 172.03 13.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -97.95 -45.74 6.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.836 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.35 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.7 p -62.24 -44.21 97.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 4.6 pt20 -73.72 -31.18 63.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.473 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 5.0 t -71.23 -36.83 71.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.889 HD23 HG21 ' A' ' 64' ' ' VAL . 2.7 mt -62.31 -67.59 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 0.9 OUTLIER -46.13 -25.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -43.38 -61.74 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.699 ' HB3' HG21 ' A' ' 124' ' ' VAL . 6.4 m-20 -118.02 -36.09 3.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.889 HG21 HD23 ' A' ' 60' ' ' LEU . 89.3 t -53.07 -68.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.473 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.1 m95 -81.69 16.02 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 t -107.8 -33.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 6.5 t-20 -55.17 119.55 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -51.03 -42.68 60.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -60.81 -64.82 0.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 74' ' ' ILE . 86.2 t -43.1 -44.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -65.17 -54.2 33.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -56.16 -29.04 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.8 mt -79.93 -56.79 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 70' ' ' VAL . 55.4 mt -57.07 -24.24 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -88.19 -41.08 13.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -84.36 -67.15 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -60.55 -36.64 78.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 3.7 m-85 -123.6 177.63 5.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.4 mm -110.69 110.61 32.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' HD22 ' A' ' 25' ' ' LEU . 25.9 t80 -64.79 110.61 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.444 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 6.5 t90 -129.99 105.94 8.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -105.04 126.1 51.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 34.0 m -152.77 127.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -72.21 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 86' ' ' ASP . 2.0 p-80 -76.04 -35.92 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.417 ' N ' ' CD2' ' A' ' 85' ' ' HIS . 32.1 t70 -57.0 -45.97 82.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.4 p -61.2 158.35 14.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -53.17 -53.16 54.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -42.77 -49.35 5.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -73.21 -42.14 44.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.478 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.431 ' HA ' HD12 ' A' ' 94' ' ' ILE . 11.1 mm-40 -46.94 -41.03 15.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 48.1 mtt-85 -71.88 -43.3 65.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 57.4 t80 -52.42 -45.84 66.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 91' ' ' GLN . 46.2 mt -49.92 -52.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 96' ' ' PHE . 73.2 mm-40 -61.7 -40.22 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.686 ' CD1' ' CZ ' ' A' ' 97' ' ' TYR . 1.8 t80 -34.52 -67.83 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.686 ' CZ ' ' CD1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.0 17.68 19.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp 56.92 40.76 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.2 tt -56.19 154.86 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.448 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -166.77 36.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -160.22 168.8 24.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.545 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 2.3 m-85 -159.54 152.2 17.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.676 0.75 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.77 160.01 88.77 Favored 'Cis proline' 0 C--O 1.232 0.205 0 C-N-CA 122.71 -1.788 . . . . 0.0 112.357 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.485 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.6 t80 -135.1 132.93 38.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.93 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 67.7 t -144.9 140.32 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.9 p -157.69 146.48 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.918 HG22 HD12 ' A' ' 116' ' ' LEU . 85.1 mt -101.62 124.93 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.411 HD11 ' OH ' ' A' ' 97' ' ' TYR . 44.5 mt -113.8 166.16 11.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 113' ' ' GLY . 31.4 t70 -109.81 125.59 30.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.578 0.704 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -9.68 26.67 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.44 -46.95 6.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -97.83 -43.8 6.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 84.24 36.15 13.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -117.66 168.62 10.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.38 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.5 ttpp -79.47 122.59 26.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.918 HD12 HG22 ' A' ' 107' ' ' ILE . 40.9 mt -91.37 -59.62 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.511 HG21 ' CH2' ' A' ' 119' ' ' TRP . 22.4 m -132.64 169.91 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.467 ' O ' ' CD1' ' A' ' 119' ' ' TRP . 0.1 OUTLIER -141.78 131.17 23.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CH2' HG21 ' A' ' 117' ' ' VAL . 9.3 m0 -140.86 121.07 13.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -79.33 -53.78 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -118.09 144.02 45.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.7 mp -144.21 169.07 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -151.91 173.01 15.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.699 HG21 ' HB3' ' A' ' 63' ' ' ASP . 92.8 t -50.59 -46.81 27.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.4 t -80.16 -52.72 7.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.8 t -50.97 -58.72 5.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.887 ' CE1' HG21 ' A' ' 131' ' ' VAL . 37.4 t80 -42.79 -64.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 129' ' ' ASP . 76.7 mt -54.29 -57.7 10.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 128' ' ' LEU . 12.2 t0 -37.91 -44.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -80.51 -65.42 1.01 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.887 HG21 ' CE1' ' A' ' 127' ' ' PHE . 97.6 t -40.65 -57.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 63.9 p -47.61 -39.91 18.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.71 -49.7 17.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.548 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 1.0 OUTLIER -49.81 -41.13 44.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 139' ' ' GLY . 92.9 mt -54.6 -59.15 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.3 -44.74 95.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.49 -57.12 9.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -88.87 -62.35 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 113.17 144.29 8.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -62.46 159.8 14.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 mp -57.76 -39.11 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -87.65 -50.37 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 45.17 85.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 146' ' ' SER . 0.6 OUTLIER -75.22 -38.5 60.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.455 ' N ' ' HG ' ' A' ' 144' ' ' LEU . 24.0 p 42.56 36.15 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.576 ' HB3' HD12 ' A' ' 144' ' ' LEU . 24.6 p -54.38 -51.19 65.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.4 t -131.98 117.41 18.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 43.4 t -53.11 -48.84 67.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -171.15 87.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -35.69 12.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 41.5 m 62.61 42.96 7.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 12.3 t -141.28 138.57 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 p -147.28 117.97 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -123.14 110.73 15.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 44.43 88.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 8.5 t -37.64 -48.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 p -146.86 132.02 18.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.89 66.08 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.49 ' C ' HD12 ' A' ' 8' ' ' ILE . 2.7 pp -136.83 160.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 111.143 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -137.92 106.22 5.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -144.58 141.24 29.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.65 102.02 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.0 mt -141.04 122.55 15.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.8 p -125.94 113.93 17.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.9 m -155.34 125.66 6.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -106.98 -8.8 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.67 167.02 11.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -130.75 167.14 19.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.8 mt -52.49 133.52 35.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -67.42 -58.53 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.92 152.08 61.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 163.86 36.66 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.719 2.279 . . . . 0.0 112.354 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.15 6.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 HG22 ' HE2' ' A' ' 26' ' ' MET . 8.9 pt -85.11 17.59 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -48.77 -59.87 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD13 ' HB3' ' A' ' 75' ' ' ARG . 15.5 tp -74.7 -34.36 62.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.425 ' HE2' HG22 ' A' ' 23' ' ' ILE . 10.9 mtp -73.19 151.2 41.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.0 m-70 -148.26 107.99 4.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -101.57 174.15 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 111.71 -177.74 18.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -73.99 147.22 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.392 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.453 ' CZ ' ' HD2' ' A' ' 35' ' ' LYS . 1.6 t80 -44.93 -48.8 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -54.82 -44.43 73.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.6 m -48.87 -51.24 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.21 -52.73 25.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' HD2' ' CZ ' ' A' ' 31' ' ' PHE . 26.6 mtpt -47.13 -55.72 7.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -40.48 -53.47 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 12.2 m -56.48 -52.28 65.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -36.87 -35.26 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -71.68 -66.0 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.2 mmt -49.86 -44.27 49.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 43' ' ' LYS . 13.3 mm100 -76.88 -25.59 53.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.17 43.71 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 21.6 mttm -130.28 143.12 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.662 ' CZ3' HD21 ' A' ' 116' ' ' LEU . 84.2 m95 -56.39 165.4 1.09 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.7 tp -111.72 123.22 49.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -112.84 116.9 30.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.649 HG21 ' CE2' ' A' ' 93' ' ' TYR . 82.6 mt -111.56 137.02 45.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -138.32 119.33 14.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.59 123.73 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -102.35 134.87 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.1 134.73 36.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 p -44.52 -38.61 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -156.11 115.32 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -161.38 159.56 28.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.95 -44.33 9.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.04 -35.7 73.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 t -65.02 -53.74 41.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 8.3 pt20 -60.76 -32.88 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.2 t -69.14 -31.16 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.589 HD11 ' HG3' ' A' ' 103' ' ' PRO . 8.0 mt -71.26 -62.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -52.88 -15.99 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.69 -61.54 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -117.76 -30.41 5.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 70' ' ' VAL . 58.9 t -60.54 -68.01 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.117 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 16.7 m95 -84.28 17.96 2.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -110.71 -23.31 11.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.517 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.0 t-20 -77.63 125.59 29.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.44 -45.59 69.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -52.23 -23.8 6.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 67' ' ' ASN . 79.8 t -81.96 -59.96 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -47.82 84.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.425 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 1.2 p-10 -55.79 -27.38 50.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -85.48 -44.97 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.0 mt -69.99 -6.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' HB3' HD13 ' A' ' 25' ' ' LEU . 32.9 ptt180 -103.51 -36.01 8.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -89.55 -63.43 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -67.57 -38.55 84.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 1.2 m-85 -124.28 175.65 6.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.6 mm -107.21 106.9 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.67 117.34 4.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.6 t90 -140.44 104.19 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -120.11 123.6 43.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.7 m -141.1 133.82 30.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -75.05 132.75 41.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 16.3 p-80 -50.16 -40.03 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -51.83 -53.69 37.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.7 p -54.59 152.3 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -45.37 -66.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.22 -39.47 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.28 -54.51 7.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -40.46 -48.58 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 110.939 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -62.96 -43.91 97.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 47' ' ' ILE . 45.3 t80 -45.58 -47.81 14.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.0 mt -45.2 -56.89 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' PHE . 33.1 mm-40 -63.97 -42.3 97.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 3.5 t80 -34.49 -62.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.2 OUTLIER -112.32 14.84 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.816 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.31 39.83 30.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.4 tt -61.78 146.51 49.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.21 36.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -163.99 158.86 20.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.345 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.546 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 59.9 m-85 -149.11 152.67 36.77 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.589 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.7 Cg_endo -69.79 160.83 87.46 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.324 0.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.503 ' CG ' HD12 ' A' ' 99' ' ' LEU . 52.3 t80 -134.71 118.18 16.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.4 t -139.97 122.43 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.0 p -145.33 155.62 43.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -96.59 140.89 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 115' ' ' LYS . 2.6 tp -125.83 158.5 34.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' N ' HD11 ' A' ' 116' ' ' LEU . 36.1 t0 -107.53 116.91 56.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.659 0.743 . . . . 0.0 110.828 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -1.8 9.09 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.252 . . . . 0.0 112.352 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -93.73 -60.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.0 p -84.25 -44.32 13.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.85 28.17 7.53 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.524 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -124.57 157.88 34.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 108' ' ' LEU . 29.1 ttpp -73.26 143.0 47.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.662 HD21 ' CZ3' ' A' ' 44' ' ' TRP . 3.7 mp -97.96 -72.65 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.561 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 24.1 m -110.37 175.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -140.33 125.13 18.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.561 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 14.4 m0 -136.33 126.34 26.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -93.11 -46.45 7.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -121.49 135.72 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.8 mt -138.16 165.86 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.488 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.4 m-20 -147.71 173.38 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.96 -48.9 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.3 t -76.7 -58.18 3.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.6 m -49.72 -54.6 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.488 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 86.0 t80 -44.18 -67.54 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -50.19 -49.5 52.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -48.11 -47.3 34.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -71.27 -65.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.496 HG13 ' CZ ' ' A' ' 78' ' ' PHE . 96.7 t -39.82 -61.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.0 p -47.78 -52.54 18.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -59.87 -35.45 86.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 134' ' ' PHE . 7.9 t80 -67.55 -47.5 69.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 55.9 mt -55.49 -40.93 72.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -79.86 -29.05 48.67 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -75.72 -62.25 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -76.58 -67.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 112.41 140.55 7.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -64.17 168.17 5.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 141' ' ' LEU . 6.4 mp -55.99 170.8 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -70.91 132.56 45.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 97.77 99.63 2.05 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 144' ' ' LEU . 3.2 pp -105.83 157.01 17.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 65.7 m -66.94 -56.62 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 14.1 m -143.05 130.63 21.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.2 t -76.71 158.87 30.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 22.2 m -89.33 132.84 34.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -55.39 163.69 4.44 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.5 p -133.61 164.86 26.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.7 t -59.48 -55.36 35.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.435 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 m -142.57 140.14 31.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -65.46 -48.16 73.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.87 94.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -125.72 173.78 8.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' GLY . 70.4 p -83.24 -47.55 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 34.0 64.72 0.36 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 tp -93.54 -31.97 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t0 52.54 46.02 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 145.51 45.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.541 ' C ' HD12 ' A' ' 12' ' ' LEU . 23.5 pttm -155.4 120.67 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.541 HD12 ' C ' ' A' ' 11' ' ' LYS . 3.8 mp -150.58 174.24 13.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.8 p -55.05 140.33 38.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -74.19 118.93 17.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -152.87 105.36 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.1 -67.94 0.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 t0 53.78 32.06 14.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -126.24 134.64 51.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.889 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -115.32 -37.75 3.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.11 140.38 15.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' HB2' HG23 ' A' ' 23' ' ' ILE . 54.1 Cg_endo -69.68 135.53 30.9 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.712 2.275 . . . . 0.0 112.38 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 24' ' ' ASP . 53.7 Cg_endo -69.72 -1.43 8.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.383 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' A' ' 21' ' ' PRO . 6.9 pt -39.1 -28.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.494 ' N ' HG13 ' A' ' 23' ' ' ILE . 5.5 t70 50.61 37.87 17.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.738 HD21 ' CB ' ' A' ' 75' ' ' ARG . 4.0 mt 65.11 43.19 3.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 42.4 mtm -94.66 111.32 23.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.497 ' CD2' HG21 ' A' ' 79' ' ' ILE . 5.8 t60 -117.77 17.35 14.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -72.43 142.66 48.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.956 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.13 -103.38 0.2 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.4 m -103.18 136.21 43.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -54.06 -44.94 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -65.17 -50.39 66.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.2 m -50.94 -53.3 34.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.23 -54.78 1.38 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.085 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.7 mtmm -69.0 -47.77 64.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -40.57 -60.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 m -42.17 -63.2 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.2 -40.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.496 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 110' ' ' PRO . 6.5 mt-30 -70.94 -48.78 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.341 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -60.74 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.499 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 8.6 mm100 -71.94 1.32 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.499 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.85 47.3 25.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.713 ' HE3' HD11 ' A' ' 79' ' ' ILE . 21.6 mtmt -122.85 151.5 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.403 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.2 m95 -74.28 171.33 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD21 HD11 ' A' ' 47' ' ' ILE . 23.8 tp -119.23 129.6 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.5 tpp -113.07 112.67 24.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.759 HG21 ' CE2' ' A' ' 93' ' ' TYR . 47.8 mm -98.01 142.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -150.76 111.37 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG13 HD13 ' A' ' 99' ' ' LEU . 49.4 mm -93.2 118.09 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -107.76 122.92 47.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.699 ' ND2' ' CE1' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -92.35 110.18 21.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 51' ' ' ASN . 8.4 p -36.67 -40.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 52' ' ' VAL . 6.9 mm-40 -68.15 -66.15 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -56.37 125.49 22.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 33.2 m-85 -84.88 -45.17 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.622 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -32.17 -37.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PHE . 22.0 m -58.34 -54.92 41.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 5.6 pt20 -62.2 -32.35 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 42.1 t -50.85 -28.55 9.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.8 mp -73.33 -53.29 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -52.53 -14.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' CB ' ' A' ' 66' ' ' SER . 25.0 mmt180 -66.57 -57.24 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' OD2' HG21 ' A' ' 124' ' ' VAL . 27.8 t0 -117.95 -37.2 3.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.41 HG12 ' CE3' ' A' ' 65' ' ' TRP . 50.1 t -56.04 -70.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.41 ' CE3' HG12 ' A' ' 64' ' ' VAL . 11.5 m95 -82.33 18.06 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 22.7 t -111.82 -36.57 5.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 68' ' ' GLU . 5.2 t-20 -57.39 109.81 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.3 tp10 -33.6 -55.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -40.92 -60.18 1.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB3' ' A' ' 67' ' ' ASN . 91.2 t -46.61 -54.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 18.4 mtmt -53.15 -49.78 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 -56.45 -19.85 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.737 HG21 HG11 ' A' ' 131' ' ' VAL . 76.1 mt -90.94 -45.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 78' ' ' PHE . 7.8 mt -81.34 11.6 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.738 ' CB ' HD21 ' A' ' 25' ' ' LEU . 35.7 ptt85 -111.66 -30.15 7.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -107.83 -37.12 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -89.41 -63.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HB2' HG23 ' A' ' 74' ' ' ILE . 5.4 m-85 -103.92 177.59 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.713 HD11 ' HE3' ' A' ' 43' ' ' LYS . 50.4 mm -119.24 120.23 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -62.49 114.65 3.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -139.51 104.08 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -122.21 128.05 50.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 32.8 m -140.54 149.84 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -84.48 159.68 20.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.699 ' CE1' ' ND2' ' A' ' 51' ' ' ASN . 41.1 p-80 -81.54 15.77 1.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -110.96 -37.43 5.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 77.8 p -60.98 171.38 1.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -59.45 -60.84 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 5.4 mp0 -49.32 -49.72 42.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -53.11 -51.19 48.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -50.25 -43.34 53.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 93' ' ' TYR . 38.9 mtt-85 -68.78 -59.75 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.759 ' CE2' HG21 ' A' ' 47' ' ' ILE . 50.9 t80 -36.08 -52.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' TYR . 78.4 mt -37.91 -57.03 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.162 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 96' ' ' PHE . 57.3 mm-40 -61.92 -43.09 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.6 t80 -36.22 -61.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -111.53 16.34 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 98' ' ' LYS . 10.6 mptt 52.14 41.83 30.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD21 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -55.7 155.89 5.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 102' ' ' PHE . . . -158.68 -32.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.487 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' C ' ' CD1' ' A' ' 102' ' ' PHE . 12.2 m-20 -98.75 170.79 8.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.581 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -153.61 152.31 27.02 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.585 0.707 . . . . 0.0 110.93 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.7 Cg_endo -69.75 175.74 35.32 Favored 'Cis proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 0.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.516 ' CG ' HD12 ' A' ' 99' ' ' LEU . 11.6 t80 -135.73 128.13 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 85.0 t -142.95 132.31 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 57.7 p -157.61 142.92 17.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 117' ' ' VAL . 70.3 mt -98.14 109.99 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.074 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.14 153.12 19.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -95.12 123.69 56.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 110.816 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.4 ' O ' ' CD ' ' A' ' 39' ' ' GLN . 53.8 Cg_endo -69.78 -14.76 36.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -80.59 -57.1 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.8 p -97.93 -45.53 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.02 35.84 5.43 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.455 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -115.56 145.32 42.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -71.09 117.41 12.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.6 mt -93.51 -44.08 8.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 107' ' ' ILE . 12.8 m -133.87 160.33 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -142.27 120.97 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.537 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 15.8 m0 -124.21 115.5 21.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t60 -68.13 -54.38 18.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -130.08 143.15 50.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 11.6 mt -133.1 161.87 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.498 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 4.6 m-20 -135.87 169.18 17.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.631 HG21 ' OD2' ' A' ' 63' ' ' ASP . 84.3 t -56.31 -43.79 77.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.3 t -81.48 -58.82 2.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.6 t -50.28 -54.75 19.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 123' ' ' ASP . 85.7 t80 -41.92 -59.42 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 89.6 mt -51.29 -58.74 5.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -42.78 -46.66 5.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -69.38 -61.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.737 HG11 HG21 ' A' ' 73' ' ' ILE . 97.1 t -45.75 -59.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 62.8 p -49.96 -45.56 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.81 97.77 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -59.41 -56.09 26.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.0 -50.03 73.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.67 -36.25 91.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.479 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -72.76 -60.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -79.76 -66.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 108.72 170.57 21.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -55.52 162.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 42' ' ' ASN . 6.8 mp -53.2 175.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.477 ' O ' HD23 ' A' ' 144' ' ' LEU . 20.3 m-20 -88.05 -61.09 1.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -74.42 113.63 4.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 144' ' ' LEU . 1.3 pt? -128.46 123.97 34.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 6.6 t -156.36 142.55 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -116.82 117.83 30.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.9 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.5 t -105.64 -37.68 6.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 35.6 m -60.2 174.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -77.85 162.22 50.14 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 106.31 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.621 2.214 . . . . 0.0 112.331 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 24.2 m -139.9 154.6 47.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.4 t -83.46 -51.39 7.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.1 p -151.55 159.95 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.367 . . . . 0.0 110.823 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -167.91 172.1 9.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.66 168.49 41.17 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.446 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -166.64 171.01 12.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -167.86 154.58 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.69 87.74 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.0 pt -131.63 137.31 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -156.97 147.04 20.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -157.29 156.34 32.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.57 125.33 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -151.18 123.23 8.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.9 m -135.64 114.22 11.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.2 p -130.75 103.6 6.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -126.28 159.0 34.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.854 ' HB3' ' HG2' ' A' ' 20' ' ' ARG . . . -116.04 152.64 33.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -95.34 -56.05 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 19' ' ' PHE . 4.1 pp -95.95 -45.05 7.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.638 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 44.9 m-85 -46.48 -43.95 17.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.854 ' HG2' ' HB3' ' A' ' 16' ' ' ALA . 5.0 mmp_? -59.03 156.46 26.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 169.99 17.66 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.298 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 83.51 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -58.27 -30.48 40.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' ILE . 6.9 t70 -35.51 -54.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 80' ' ' PHE . 3.9 mm? -57.87 -60.57 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -53.12 137.61 33.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.479 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 11.5 t60 -105.45 139.24 40.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' CE1' ' A' ' 27' ' ' HIS . 6.4 mtpm? -100.24 168.9 9.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 116.04 -105.55 1.41 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.504 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.3 m -151.54 158.87 44.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -50.1 -50.37 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 33' ' ' THR . 16.0 pt-20 -64.13 -39.91 95.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.468 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 40.4 m -47.6 -46.9 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.22 -46.46 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -56.5 -52.38 64.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -46.0 -60.52 2.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.7 t -42.82 -50.79 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.29 -36.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -70.61 -57.12 5.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.4 mmt -40.65 -68.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' HB2' ' HZ1' ' A' ' 43' ' ' LYS . 8.8 mt-30 -73.0 -15.21 61.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.899 ' HA ' HD12 ' A' ' 141' ' ' LEU . 12.8 t-20 67.88 48.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.831 ' HD2' HD13 ' A' ' 79' ' ' ILE . 4.9 ptpp? -123.13 135.75 54.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.802 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 93.6 m95 -52.57 161.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD23 ' HB3' ' A' ' 108' ' ' LEU . 32.5 tp -99.2 115.76 29.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.3 ttm -105.41 102.5 11.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.604 HG21 ' CE2' ' A' ' 93' ' ' TYR . 49.0 mm -83.32 136.14 23.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -133.02 114.11 13.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.2 mm -103.25 127.12 57.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -94.4 145.39 24.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.441 HD22 ' CB ' ' A' ' 102' ' ' PHE . 11.4 t-20 -115.42 119.19 35.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.38 -23.48 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -93.38 -67.98 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -58.02 103.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' ALA . 1.2 p90 -65.78 -37.93 87.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -43.61 -28.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 46.0 t -72.68 -55.5 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 6.5 pt20 -62.1 -34.85 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 4.5 t -45.19 -53.55 8.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.3 mp -48.72 -50.53 33.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 6.4 t-20 -43.0 -25.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 ttp85 -45.8 -61.88 1.54 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -117.96 -29.48 5.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.9 t -60.23 -68.17 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 19.4 m95 -82.76 17.99 1.7 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.9 t -111.57 -32.67 6.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -58.38 135.4 57.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -64.13 -42.86 96.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.82 -55.52 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 74' ' ' ILE . 96.7 t -50.64 -46.96 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.447 ' HB3' HD21 ' A' ' 25' ' ' LEU . 61.0 mttm -63.28 -52.89 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -55.79 -17.21 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 77' ' ' HIS . 96.8 mt -95.43 -49.3 12.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.755 HD11 ' CZ ' ' A' ' 127' ' ' PHE . 52.7 mt -76.71 11.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -117.98 -29.15 5.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -110.64 -37.95 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.628 ' C ' ' CD1' ' A' ' 78' ' ' PHE . 43.5 m-70 -89.49 -16.4 30.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.628 ' CD1' ' C ' ' A' ' 77' ' ' HIS . 9.3 m-85 -150.25 160.51 43.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.831 HD13 ' HD2' ' A' ' 43' ' ' LYS . 29.5 mm -86.85 118.09 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 58.0 t80 -83.81 113.55 21.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.463 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 10.8 t90 -138.93 113.54 9.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -122.44 134.41 54.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 33.0 m -151.55 155.17 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -89.99 119.17 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -38.81 -45.65 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -45.82 -53.47 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 p -53.87 155.02 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -51.05 -58.28 6.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -41.97 -55.61 3.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.08 -54.62 25.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.515 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.937 ' HA ' HD12 ' A' ' 94' ' ' ILE . 46.3 mm-40 -46.01 -57.43 4.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 59.3 mtt-85 -41.16 -58.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.604 ' CE2' HG21 ' A' ' 47' ' ' ILE . 41.5 t80 -49.57 -53.78 21.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.937 HD12 ' HA ' ' A' ' 91' ' ' GLN . 44.6 mt -42.2 -48.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.445 ' O ' ' C ' ' A' ' 96' ' ' PHE . 22.5 mt-30 -65.36 -41.21 94.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.554 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.9 t80 -34.51 -63.58 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.554 ' CD1' ' HB3' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.14 15.38 21.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.966 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.3 mptt 55.51 42.29 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.619 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 3.6 tt -53.32 147.56 10.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.43 40.51 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -158.56 152.76 23.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.874 0.369 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.619 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 22.7 m-85 -151.52 145.73 18.17 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.697 0.761 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.2 Cg_endo -69.84 153.69 93.25 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.303 0.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.486 ' CG ' HD12 ' A' ' 99' ' ' LEU . 12.8 t80 -128.9 130.99 47.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 98.6 t -147.72 125.65 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.9 m -146.39 159.34 43.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.72 HD12 HG21 ' A' ' 117' ' ' VAL . 67.0 mt -105.43 129.23 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.53 HD22 ' OH ' ' A' ' 97' ' ' TYR . 13.3 tp -113.65 161.54 17.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.7 t0 -110.08 121.56 41.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.507 ' HD2' HD21 ' A' ' 141' ' ' LEU . 53.5 Cg_endo -69.82 -17.35 37.36 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.339 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -82.29 -51.81 7.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.0 p -97.99 -46.98 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 94.77 33.76 6.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' LEU . 5.7 pt20 -118.45 157.29 27.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.399 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.92 127.63 33.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.802 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 76.2 mt -97.71 -42.53 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.72 HG21 HD12 ' A' ' 107' ' ' ILE . 30.2 m -143.64 167.34 13.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.429 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.5 OUTLIER -143.25 128.52 18.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -135.39 129.05 32.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -91.1 -50.22 5.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -124.44 141.42 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.3 mt -141.54 171.28 14.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -144.86 164.87 29.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 87.2 t -45.68 -48.95 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -80.94 -60.91 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.0 m -42.57 -55.3 3.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.755 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 38.1 t80 -45.28 -56.74 4.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 132' ' ' THR . 31.8 mt -57.24 -62.52 1.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -39.55 -46.64 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -70.75 -64.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 127' ' ' PHE . 89.7 t -53.31 -63.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 128' ' ' LEU . 2.3 m -39.15 -52.59 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.75 -50.86 56.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 5.2 t80 -42.36 -43.16 3.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.63 -48.47 49.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -77.9 -37.84 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.48 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.62 -57.38 12.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.869 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -85.94 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 118.18 157.46 10.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.45 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.461 ' O ' ' C ' ' A' ' 141' ' ' LEU . 2.8 tp60 -54.08 161.24 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.366 . . . . 0.0 110.923 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.899 HD12 ' HA ' ' A' ' 42' ' ' ASN . 51.1 mt -33.15 -50.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.21 -60.02 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 103.87 113.23 3.79 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 46.5 mt -91.43 -56.54 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.777 0.323 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.5 t -102.65 139.06 38.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.2 p -130.34 164.36 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.4 t -135.63 176.86 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.7 t -57.67 -55.47 34.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 139.45 87.38 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 131.86 22.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -75.55 112.14 11.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 69.5 p -42.33 -51.53 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m 62.53 42.7 8.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -85.29 172.18 11.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.32 -169.92 12.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -163.89 154.81 15.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -123.8 169.71 11.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.533 ' C ' HD12 ' A' ' 8' ' ' ILE . . . 111.81 122.82 4.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD12 ' C ' ' A' ' 7' ' ' GLY . 5.4 mp -146.2 112.0 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.889 0.376 . . . . 0.0 111.097 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -157.81 113.98 2.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 8.8 ptmt -145.47 106.17 4.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 10' ' ' LYS . 2.5 mptp? -126.68 138.84 53.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 13' ' ' THR . 0.6 OUTLIER -97.97 -48.13 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.531 ' N ' HD12 ' A' ' 12' ' ' LEU . 16.3 p 44.98 39.34 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.0 m -142.25 138.33 31.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -106.68 112.39 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.89 152.28 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' HB2' ' CE1' ' A' ' 19' ' ' PHE . 20.7 m-20 -53.73 177.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.625 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -70.55 -50.63 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 17' ' ' ASP . 5.0 m-85 53.19 33.32 15.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -139.85 153.31 69.68 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.21 19.39 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.321 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 86.22 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.656 2.237 . . . . 0.0 112.407 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 pt -104.14 17.91 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -48.78 -44.22 38.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 80' ' ' PHE . 19.1 tp -80.95 -51.37 8.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.5 mtm -61.14 119.83 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -80.57 115.67 20.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -85.77 127.01 34.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 137.65 -169.99 23.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.7 p -98.41 175.23 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.896 0.379 . . . . 0.0 110.828 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 62.9 t80 -61.57 -44.97 96.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -39.5 -60.71 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 35' ' ' LYS . 14.0 p -57.33 -46.31 83.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -38.07 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' THR . 39.6 mtmt -85.18 -48.8 8.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 5.6 pt-20 -59.98 -43.05 95.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.409 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 3.8 t -54.89 -50.32 69.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 43' ' ' LYS . . . -45.08 -38.72 6.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.522 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -77.26 -42.64 36.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.3 mmt -51.69 -60.67 2.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -88.37 2.52 52.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 57.36 43.12 23.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 75' ' ' ARG . 4.7 mtpm? -117.78 138.6 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.3 m95 -58.17 177.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 HD23 ' CB ' ' A' ' 108' ' ' LEU . 26.3 tp -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.503 ' HE2' ' CG ' ' A' ' 78' ' ' PHE . 29.6 tpp -130.02 126.47 37.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.813 HG21 ' CZ ' ' A' ' 93' ' ' TYR . 38.2 mm -110.1 141.77 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' OD1' ' CD ' ' A' ' 82' ' ' GLN . 8.3 t-20 -146.4 111.26 5.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.0 mm -92.97 135.02 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.567 ' HG3' ' CD2' ' A' ' 84' ' ' TYR . 20.6 pt20 -116.89 137.32 52.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.448 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 0.8 OUTLIER -101.0 109.59 21.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.3 p -57.53 -32.21 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -75.37 -68.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.91 176.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLN . 27.0 m-85 -116.16 -35.2 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -35.45 -38.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -59.32 -46.17 89.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 55' ' ' PHE . 1.4 pp0? -73.14 -34.79 66.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.421 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 45.1 t -59.22 -35.41 73.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD11 ' HG3' ' A' ' 103' ' ' PRO . 7.3 mt -70.59 -61.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -50.78 -21.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 66' ' ' SER . 15.5 ttm180 -43.03 -62.43 1.03 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.62 ' HB3' HG21 ' A' ' 124' ' ' VAL . 84.5 m-20 -118.04 -32.68 4.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 66.9 t -58.57 -69.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.436 ' HZ3' HD11 ' A' ' 74' ' ' ILE . 28.6 m95 -84.4 17.79 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 17.1 t -112.27 -36.61 5.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.599 ' HB3' HG23 ' A' ' 70' ' ' VAL . 3.1 t-20 -53.71 109.71 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 67' ' ' ASN . 21.4 tt0 -37.24 -54.88 1.03 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.27 -48.0 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.599 HG23 ' HB3' ' A' ' 67' ' ' ASN . 100.0 t -61.13 -41.35 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -64.21 -45.98 85.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 61.6 m-20 -60.71 -27.73 68.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.74 HG23 ' HD2' ' A' ' 77' ' ' HIS . 94.0 mt -85.95 -43.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.552 HD12 HG12 ' A' ' 70' ' ' VAL . 90.8 mt -73.51 -15.26 16.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.45 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 9.5 ptp180 -93.91 -34.67 13.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -90.6 -68.47 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.74 ' HD2' HG23 ' A' ' 73' ' ' ILE . 91.2 m-70 -57.15 -40.7 77.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.503 ' CG ' ' HE2' ' A' ' 46' ' ' MET . 4.4 m-85 -125.05 177.11 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 mm -103.72 108.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' HD11 ' A' ' 25' ' ' LEU . 21.8 t80 -54.06 112.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.485 ' CZ3' HG22 ' A' ' 83' ' ' VAL . 1.3 t90 -140.61 124.88 17.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 45.5 tt0 -147.96 123.5 10.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG22 ' CZ3' ' A' ' 81' ' ' TRP . 28.0 m -141.67 148.35 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.567 ' CD2' ' HG3' ' A' ' 50' ' ' GLN . 47.5 m-85 -72.71 156.18 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 56.2 p-80 -70.2 -54.17 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.468 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 38.5 m-20 -46.99 -42.42 17.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 p -59.61 140.17 56.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -38.99 -56.78 1.35 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' H ' ' CD ' ' A' ' 89' ' ' GLU . 17.4 mp0 -41.27 -52.04 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.9 -37.21 87.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 94' ' ' ILE . 27.4 mm-40 -51.64 -55.2 20.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.964 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -59.21 -54.35 47.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.813 ' CZ ' HG21 ' A' ' 47' ' ' ILE . 55.2 t80 -41.57 -42.8 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 91' ' ' GLN . 69.4 mt -47.15 -58.95 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 96' ' ' PHE . 16.3 mm-40 -57.02 -43.79 82.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.691 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 2.8 t80 -38.22 -63.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.691 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 1.3 m-85 -106.4 11.63 30.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.976 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 34.1 mmtp 54.78 45.41 26.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.6 tt -52.36 155.18 2.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -159.09 -31.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.8 160.95 16.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.623 ' CZ ' HD21 ' A' ' 99' ' ' LEU . 0.9 OUTLIER -141.4 152.65 64.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.674 0.75 . . . . 0.0 110.853 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.867 ' HG3' HD11 ' A' ' 60' ' ' LEU . 54.0 Cg_endo -69.7 172.79 47.13 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.346 -0.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -135.77 129.18 32.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.2 t -145.04 135.92 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 12.2 t -156.64 144.11 19.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.654 HD11 ' CH2' ' A' ' 119' ' ' TRP . 85.8 mt -94.24 113.78 29.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.641 HD13 ' O ' ' A' ' 114' ' ' GLN . 4.1 mm? -93.73 160.46 14.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -115.57 122.19 33.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.598 0.713 . . . . 0.0 110.835 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -18.61 36.93 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtt-85 -76.85 -63.02 1.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 71.6 p -84.31 -42.34 15.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.72 34.82 6.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.641 ' O ' HD13 ' A' ' 108' ' ' LEU . 4.8 pt20 -128.76 176.79 7.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.915 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.92 119.61 26.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -83.58 -50.88 7.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.502 HG22 ' HB ' ' A' ' 107' ' ' ILE . 13.5 m -142.11 152.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -126.82 127.28 44.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.654 ' CH2' HD11 ' A' ' 107' ' ' ILE . 22.5 m0 -122.88 130.96 53.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -84.2 -60.08 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.428 ' C ' ' HG ' ' A' ' 122' ' ' LEU . 10.1 pt20 -111.23 153.28 26.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.428 ' HG ' ' C ' ' A' ' 121' ' ' GLN . 17.3 mt -153.07 168.44 25.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 10.8 m-20 -149.33 172.54 14.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.62 HG21 ' HB3' ' A' ' 63' ' ' ASP . 99.2 t -58.56 -48.74 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 20.4 t -82.45 -44.22 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.4 t -59.34 -50.93 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.547 ' CE2' HG21 ' A' ' 131' ' ' VAL . 84.9 t80 -45.92 -64.1 0.82 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 26.9 mt -48.05 -51.14 25.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -44.13 -55.73 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.32 -56.93 9.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.547 HG21 ' CE2' ' A' ' 127' ' ' PHE . 97.0 t -43.3 -61.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 47.6 p -51.71 -43.7 62.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.54 -41.42 64.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.35 -58.9 6.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.91 -43.59 63.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.96 -36.6 74.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -84.29 -61.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -74.66 -65.37 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.63 -147.37 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -104.25 176.17 5.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.84 0.353 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 8.4 mp -82.59 -57.52 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 52.04 47.59 24.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.9 -156.18 8.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -52.45 142.25 18.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.1 m -138.12 107.73 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 64.6 p -68.91 -55.18 11.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 57.4 p -124.13 142.44 51.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 34.9 t -99.73 115.05 28.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -110.22 -153.11 13.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 126.26 13.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.343 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.1 t -83.36 -58.61 2.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 56.0 m -69.46 170.32 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.5 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -56.75 -53.23 60.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 110.846 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t 64.89 42.76 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.18 143.65 18.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -161.49 167.03 26.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -156.98 177.78 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.76 122.09 2.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 8' ' ' ILE . 17.8 tt -131.57 117.95 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.842 0.353 . . . . 0.0 111.125 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -157.88 128.12 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.0 mmtm -141.1 103.08 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -157.78 128.67 6.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 mt -150.8 162.41 40.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.428 HG23 ' O ' ' A' ' 13' ' ' THR . 5.2 t -157.65 118.7 3.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 t -164.45 150.68 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.577 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -132.84 133.18 43.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.27 167.11 14.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -52.05 151.71 3.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.44 124.0 23.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -70.9 -55.16 9.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -64.0 155.14 79.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.8 23.34 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 0.0 112.368 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 90.7 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.357 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 23' ' ' ILE . 2.7 pp -81.69 16.13 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -49.8 -49.24 49.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 71' ' ' LYS . 4.5 mt -74.17 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 69.1 mtm -52.39 114.89 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -105.12 136.94 43.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -104.15 143.68 32.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.03 152.88 7.24 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 27.3 t -60.41 147.49 40.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 81' ' ' TRP . 32.1 p90 -42.07 -52.04 4.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.6 pt-20 -43.62 -36.35 2.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.4 m -61.33 -53.14 60.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.133 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -38.36 -52.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -58.98 -52.23 66.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.82 -45.04 67.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 79.3 m -60.84 -46.51 90.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.21 -42.04 5.21 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 110' ' ' PRO . 11.4 mt-30 -69.55 -66.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.327 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.1 mmt -48.55 -58.65 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.514 ' C ' ' CG ' ' A' ' 42' ' ' ASN . 46.7 mm-40 -67.95 -5.83 19.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' CG ' ' C ' ' A' ' 41' ' ' GLN . 0.4 OUTLIER 51.7 46.1 27.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -132.31 136.27 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 141' ' ' LEU . 92.0 m95 -55.15 172.39 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.0 tp -119.5 132.46 55.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.1 ttm -130.58 124.53 32.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -116.76 149.18 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -146.54 127.17 14.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.8 mm -97.84 107.93 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.59 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 5.9 pt20 -74.4 132.13 41.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.552 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 9.5 m-80 -97.54 117.16 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.1 m -79.93 -34.51 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -79.02 -56.91 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -61.13 154.95 21.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -96.41 -38.31 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -33.19 -56.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 54.1 t -43.25 -53.69 4.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -52.13 -68.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.2 m -40.04 -42.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD23 HG21 ' A' ' 64' ' ' VAL . 5.3 mt -60.81 -60.73 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 1.5 t30 -51.13 -23.03 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -43.61 -61.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -118.03 -34.72 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.598 HG21 HD23 ' A' ' 60' ' ' LEU . 60.7 t -53.0 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' ASN . 17.0 m95 -82.15 17.13 1.71 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 t -106.21 -28.01 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -66.21 127.94 34.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG2' ' N ' ' A' ' 69' ' ' ALA . 3.0 pm0 -66.28 -32.15 73.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 68' ' ' GLU . . . -62.69 -39.19 93.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.981 HG13 ' CE2' ' A' ' 127' ' ' PHE . 94.4 t -71.48 -36.22 59.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD11 ' A' ' 25' ' ' LEU . 11.9 mttm -69.06 -58.13 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' HA ' ' NE ' ' A' ' 75' ' ' ARG . 31.5 m-20 -47.66 -28.24 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.786 HG23 ' CD2' ' A' ' 77' ' ' HIS . 77.9 mt -81.51 -52.71 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.38 -22.0 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 15.0 ptp180 -89.83 -42.92 10.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 13.1 tt0 -80.02 -68.17 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.786 ' CD2' HG23 ' A' ' 73' ' ' ILE . 90.2 m-70 -56.36 -37.24 69.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.455 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 2.2 m-85 -129.68 174.89 9.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.3 mm -103.72 106.35 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -52.55 113.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.489 ' CZ2' ' HA ' ' A' ' 31' ' ' PHE . 3.8 t90 -139.47 102.85 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.401 ' NE2' ' HB3' ' A' ' 50' ' ' GLN . 20.0 tp60 -118.39 142.91 47.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.2 m -157.67 128.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 50.3 m-85 -54.7 159.02 2.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 5.5 p80 -68.37 -43.3 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.7 p-10 -59.94 -47.19 86.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 88' ' ' GLU . 29.7 p -52.44 132.19 34.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 87' ' ' SER . 5.4 tp10 -33.49 -56.75 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -42.22 -57.37 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -48.67 -48.84 28.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 40.0 mm-40 -53.83 -38.72 64.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.776 0.322 . . . . 0.0 110.858 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.77 -51.47 68.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 -40.29 84.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 91' ' ' GLN . 68.4 mt -61.42 -55.62 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.5 -32.49 72.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.742 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.7 OUTLIER -45.1 -62.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.742 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 64.9 m-85 -112.3 13.26 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.934 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER 56.86 44.01 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.866 HD12 ' CD2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -55.84 153.05 8.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -160.77 37.75 0.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -159.12 166.26 31.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' CG ' ' OD1' ' A' ' 51' ' ' ASN . 5.9 m-85 -155.73 151.8 22.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.554 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.4 Cg_endo -69.78 164.59 78.88 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.359 0.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.866 ' CD2' HD12 ' A' ' 99' ' ' LEU . 3.9 t80 -135.65 128.24 30.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.935 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 65.3 t -148.69 117.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.2 m -139.64 153.81 47.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -104.53 139.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.628 HD23 ' HA ' ' A' ' 115' ' ' LYS . 36.6 mt -120.03 162.37 19.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.401 ' N ' HD11 ' A' ' 116' ' ' LEU . 13.2 t0 -104.77 119.93 51.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.718 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.487 ' O ' ' NE2' ' A' ' 39' ' ' GLN . 53.7 Cg_endo -69.75 5.44 1.69 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.3 mtt-85 -109.78 -34.59 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.843 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 68.6 p -110.92 -37.89 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.141 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.74 33.33 13.13 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -121.94 172.92 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.628 ' HA ' HD23 ' A' ' 108' ' ' LEU . 5.0 ttpm? -86.61 134.67 33.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 116' ' ' LEU . 4.6 mp -95.63 -72.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.579 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 10.3 m -109.39 178.42 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -149.87 125.34 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.579 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 9.4 m0 -136.1 116.33 13.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -85.37 -44.13 13.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -105.72 121.09 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.711 HD21 ' HD1' ' A' ' 127' ' ' PHE . 6.8 tp -129.22 158.2 39.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -160.41 172.4 17.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 42.8 t -47.51 -54.59 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.3 t -77.22 -59.07 2.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -40.87 -49.29 3.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.981 ' CE2' HG13 ' A' ' 70' ' ' VAL . 67.6 t80 -52.73 -59.1 4.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 129' ' ' ASP . 12.5 mt -58.1 -65.21 0.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 128' ' ' LEU . 9.3 t70 -35.23 -51.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 127' ' ' PHE . 68.4 t -43.89 -63.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.4 p -37.99 -50.32 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -66.8 -66.9 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 133' ' ' GLY . 28.2 t80 -35.71 -54.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.455 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 68.1 mt -53.22 -43.38 67.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -70.42 -37.85 69.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.512 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -54.74 -55.54 28.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.388 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -94.45 -62.67 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 125.38 -157.85 19.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.516 ' HB3' HD11 ' A' ' 144' ' ' LEU . 19.8 tt0 -81.41 174.17 11.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.907 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.707 HD12 ' CE3' ' A' ' 44' ' ' TRP . 1.2 tp -52.54 163.4 0.44 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -67.33 -29.63 69.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -50.12 -101.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 140' ' ' GLN . 16.7 mt 51.98 42.75 30.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 17.2 t -96.17 132.21 41.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.2 m -58.43 105.68 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -67.09 120.35 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 65.3 m -75.97 130.37 38.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 122.27 131.71 3.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 163.36 38.55 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.9 m -111.75 141.72 45.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.0 t -127.09 162.97 24.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -160.81 161.82 32.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 0.0 110.874 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m 59.84 41.87 17.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.01 80.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.1 p -136.92 128.54 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.879 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -158.18 167.12 30.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.2 54.15 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.8 pt -137.52 131.46 44.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 111.137 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -151.58 152.39 32.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -146.47 114.66 6.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' HG ' ' A' ' 12' ' ' LEU . 47.9 tttt -147.42 139.07 24.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 11' ' ' LYS . 11.9 mt -149.91 122.72 8.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.3 p -153.87 174.76 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 37.0 m -56.81 131.95 50.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.59 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -113.62 -7.99 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.93 121.08 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -85.97 -57.91 2.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD21 ' HA ' ' A' ' 21' ' ' PRO . 7.1 tp -111.86 126.72 55.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -49.27 -62.34 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 -150.92 139.54 13.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.592 0.71 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.513 ' HA ' HD21 ' A' ' 18' ' ' LEU . 53.3 Cg_endo -69.79 145.46 57.05 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.243 . . . . 0.0 112.357 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.442 ' C ' HG12 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.76 -1.84 9.16 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.371 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG12 ' C ' ' A' ' 22' ' ' PRO . 1.9 pt 38.31 32.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -47.71 -52.03 19.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 75' ' ' ARG . 6.5 tp -115.59 -24.27 8.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.5 ttp -88.78 152.76 21.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -142.29 103.55 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -110.58 16.68 21.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.23 -166.98 2.28 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' THR . 15.3 m -76.33 140.42 41.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' SER . 20.9 p90 -35.18 -53.72 0.61 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 33' ' ' THR . 10.5 pt-20 -49.43 -42.05 41.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.9 m -49.36 -57.02 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 81' ' ' TRP . . . -39.24 -60.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -58.11 -48.46 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -49.74 -53.57 24.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -53.33 -48.0 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -48.86 -36.7 20.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -77.78 -63.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.774 0.321 . . . . 0.0 110.918 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.41 ' CG ' ' N ' ' A' ' 41' ' ' GLN . 7.2 ptp -46.99 -42.72 18.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 40' ' ' MET . 40.6 mm-40 -85.04 -20.62 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 67.96 45.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 20.3 mttm -131.2 165.48 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.443 ' NE1' ' HA ' ' A' ' 140' ' ' GLN . 80.0 m95 -76.69 159.41 30.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.436 HD11 ' HB1' ' A' ' 34' ' ' ALA . 50.8 tp -104.2 151.38 23.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 ttm -144.72 108.95 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.677 HG23 ' HE3' ' A' ' 81' ' ' TRP . 47.8 mt -104.21 144.16 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -148.39 131.95 16.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 27.7 mm -93.54 132.48 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -106.09 131.94 52.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -81.35 148.55 29.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.559 HG13 ' HG3' ' A' ' 53' ' ' GLN . 7.4 p -105.17 -31.16 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' HG3' HG13 ' A' ' 52' ' ' VAL . 87.0 mt-30 -113.56 -37.86 4.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -66.25 165.46 13.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.8 OUTLIER -112.3 -33.03 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.52 -50.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' GLN . 49.0 t -59.46 -57.3 13.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -37.3 -62.8 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 -179.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 19.4 t -41.16 -52.01 3.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD11 ' HG3' ' A' ' 103' ' ' PRO . 2.4 mt -57.5 -68.68 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.44 ' CG ' ' HB2' ' A' ' 65' ' ' TRP . 16.1 t-20 -50.86 -22.82 2.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' SER . 39.1 ttp85 -43.63 -62.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.76 -30.22 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 HD23 ' A' ' 60' ' ' LEU . 60.2 t -60.77 -69.14 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.44 ' HB2' ' CG ' ' A' ' 61' ' ' ASN . 24.9 m95 -84.82 17.01 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 16.0 t -109.16 -36.75 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.443 ' HB3' HG23 ' A' ' 70' ' ' VAL . 5.8 t-20 -52.14 126.43 18.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -54.03 -49.32 69.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.25 -51.43 33.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.55 HG12 HD12 ' A' ' 74' ' ' ILE . 86.3 t -53.74 -47.03 62.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.8 mttt -62.0 -58.33 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.402 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 78.2 m-20 -46.93 -29.84 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 77' ' ' HIS . 97.4 mt -85.68 -45.15 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.166 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.55 HD12 HG12 ' A' ' 70' ' ' VAL . 89.7 mt -68.24 -8.67 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.797 ' HB3' HD13 ' A' ' 25' ' ' LEU . 15.3 ptt180 -98.94 -35.6 10.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 1.3 tm-20 -90.05 -66.17 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.441 ' HD2' HG23 ' A' ' 73' ' ' ILE . 74.1 m-70 -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.48 ' CZ ' HD21 ' A' ' 135' ' ' LEU . 7.7 m-85 -119.99 175.71 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.3 mm -111.96 104.93 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -55.32 113.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.677 ' HE3' HG23 ' A' ' 47' ' ' ILE . 7.3 t90 -133.02 106.81 7.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.41 141.31 52.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.06 132.49 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -56.17 151.46 12.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 16.9 p80 -68.6 -41.54 79.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.839 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.413 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.8 OUTLIER -53.78 -42.47 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.9 p -52.31 154.45 2.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 89' ' ' GLU . 6.8 pt-20 -54.66 -40.48 69.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 62.1 mt-10 -61.27 -48.39 81.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -52.24 -52.96 33.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.469 ' HA ' HD12 ' A' ' 94' ' ' ILE . 37.7 mm-40 -54.95 -53.11 59.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.322 . . . . 0.0 110.878 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -55.18 -48.59 73.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -52.24 -41.9 63.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 91' ' ' GLN . 71.2 mt -58.32 -45.52 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -74.13 -24.67 59.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.736 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 0.3 OUTLIER -46.74 -71.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.736 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 5.4 m-85 -114.27 17.17 17.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' LEU . 21.8 mmmt 64.02 48.05 3.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 101' ' ' ASP . 1.5 tt -31.94 -43.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.442 ' C ' HD23 ' A' ' 99' ' ' LEU . . . 85.64 -69.78 3.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.59 ' N ' HD23 ' A' ' 99' ' ' LEU . 2.5 t70 -160.8 177.59 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' HB3' ' HA ' ' A' ' 103' ' ' PRO . 0.2 OUTLIER -111.33 161.58 24.63 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.669 0.747 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.659 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.73 146.22 81.54 Favored 'Cis proline' 0 C--O 1.232 0.202 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.349 0.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' A' ' 99' ' ' LEU . 40.8 t80 -136.58 123.15 20.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 87.2 t -144.66 136.8 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.085 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.7 p -154.46 170.79 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.492 ' HB ' HG22 ' A' ' 117' ' ' VAL . 68.2 mt -121.08 121.46 65.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.529 HD13 ' OH ' ' A' ' 97' ' ' TYR . 38.6 mt -106.16 158.54 16.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -95.23 121.29 62.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -10.2 27.93 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.405 ' HG3' HD21 ' A' ' 141' ' ' LEU . 61.7 mtm180 -89.96 -56.65 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 p -95.73 -42.28 8.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.3 34.43 8.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.541 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -114.56 141.82 47.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -65.45 114.73 5.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.2 mt -95.92 -43.45 7.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.492 HG22 ' HB ' ' A' ' 107' ' ' ILE . 15.0 m -133.14 166.35 29.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -152.51 134.14 14.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.439 ' CH2' ' CD1' ' A' ' 107' ' ' ILE . 9.6 m0 -135.25 114.09 11.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -81.32 -51.27 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -117.79 110.39 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 9.3 mt -108.07 172.97 6.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -153.02 169.53 22.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.786 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.97 -60.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -67.36 -50.99 57.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.8 m -52.69 -59.57 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.794 ' O ' HG23 ' A' ' 131' ' ' VAL . 67.4 t80 -43.32 -57.29 3.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 25.0 mt -57.85 -61.87 2.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -41.25 -49.65 3.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -67.17 -63.67 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 127' ' ' PHE . 83.0 t -41.3 -59.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 23.8 p -48.37 -45.26 35.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.01 -46.46 94.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.526 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -61.86 -46.71 88.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.48 HD21 ' CZ ' ' A' ' 78' ' ' PHE . 51.5 mt -61.38 -45.95 92.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.76 -32.15 64.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -61.4 1.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -82.21 -68.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 109.73 144.2 10.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.516 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.443 ' HA ' ' NE1' ' A' ' 44' ' ' TRP . 3.1 pt20 -58.32 167.58 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.405 HD21 ' HG3' ' A' ' 111' ' ' ARG . 7.1 mp -69.33 147.54 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -120.68 141.61 50.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -173.71 -89.96 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -94.76 123.11 38.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -71.24 109.36 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.827 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.9 t -115.76 109.43 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.8 t -101.15 114.1 27.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 10.6 t -150.18 126.25 10.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 150' ' ' PRO . . . 90.62 112.55 1.6 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 149' ' ' GLY . 53.3 Cg_endo -69.83 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.697 2.265 . . . . 0.0 112.3 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 79.5 p -83.41 110.55 18.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.812 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 66.2 p -85.54 -55.63 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 3' ' ' SER . 46.9 t -92.62 103.35 15.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.815 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 2' ' ' SER . 78.5 p -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.63 -118.55 1.3 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 p -140.81 153.97 46.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.8 p -69.15 164.48 22.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 154.48 1.31 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.549 HG22 ' HB2' ' A' ' 10' ' ' LYS . 24.7 mt -88.71 -49.07 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.825 0.345 . . . . 0.0 111.153 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 61.82 44.2 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HB2' HG22 ' A' ' 8' ' ' ILE . 6.7 mmmm -143.9 117.0 8.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -142.21 146.24 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.9 pt? -159.02 156.71 29.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.1 t -116.08 128.37 55.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.7 p -151.84 170.26 20.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -67.12 159.38 28.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.64 109.15 20.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -72.46 -53.8 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -131.38 142.86 50.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -59.69 -46.57 88.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -143.22 136.79 14.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.78 68.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 5.07 1.86 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.312 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ASP . 2.7 pp -78.74 10.46 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' ILE . 5.6 m-20 -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' CD2' ' HZ2' ' A' ' 71' ' ' LYS . 25.2 tp -93.06 -56.98 2.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 30.7 mtm -62.15 115.77 4.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -112.35 118.2 34.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -139.67 121.25 15.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -166.51 -78.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.9 m -145.63 177.84 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.863 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.576 ' CD1' ' HD3' ' A' ' 92' ' ' ARG . 3.1 p90 -86.68 -44.83 11.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 24.9 tt0 -58.69 -48.66 80.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' GLU . 42.5 p -48.19 -61.47 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.156 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.98 -31.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 33' ' ' THR . 15.2 mtmt -91.65 -39.19 12.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 33' ' ' THR . 6.2 pt-20 -62.34 -45.76 91.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.466 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 16.4 m -56.02 -52.36 64.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.3 -39.26 0.2 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -67.82 -67.55 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.772 0.32 . . . . 0.0 110.903 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -54.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -71.48 -23.39 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 141' ' ' LEU . 65.1 m-80 62.4 47.84 4.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.414 ' CA ' HD13 ' A' ' 141' ' ' LEU . 35.9 mttp -131.73 151.76 51.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.492 ' CZ3' ' OD1' ' A' ' 109' ' ' ASP . 25.6 m95 -61.8 171.94 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 47' ' ' ILE . 49.2 tp -122.77 109.42 14.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 46.0 tpp -105.8 110.51 22.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.81 HD12 ' CE1' ' A' ' 93' ' ' TYR . 57.6 mt -115.74 154.47 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' HG22 ' A' ' 47' ' ' ILE . 2.4 t-20 -142.88 112.27 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.5 mm -80.7 118.27 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -108.65 127.4 53.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 54' ' ' ASP . 23.0 t-20 -87.82 151.1 23.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.22 -28.92 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HG3' ' ND2' ' A' ' 51' ' ' ASN . 4.8 pt20 -92.21 -40.29 11.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 51' ' ' ASN . 7.4 t70 -61.34 123.77 18.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' O ' ' C ' ' A' ' 56' ' ' ALA . 5.9 t80 -82.78 -44.24 15.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -32.2 -53.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.534 ' HA ' HD23 ' A' ' 60' ' ' LEU . 81.4 m -38.42 -55.92 1.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -39.15 -60.17 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 2.4 t -42.31 -50.88 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.648 ' H ' HD22 ' A' ' 60' ' ' LEU . 2.8 mm? -51.52 -66.51 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.6 t-20 -53.95 -12.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -68.47 -60.03 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -118.01 -37.13 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.882 HG12 ' CE3' ' A' ' 65' ' ' TRP . 47.4 t -56.04 -70.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.882 ' CE3' HG12 ' A' ' 64' ' ' VAL . 4.4 m95 -81.3 15.35 2.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 33.6 t -111.43 -36.13 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -54.54 119.87 5.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -47.04 -50.8 18.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -45.9 -52.29 11.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.539 HG12 HD12 ' A' ' 74' ' ' ILE . 93.8 t -58.37 -43.68 86.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HZ2' ' CD2' ' A' ' 25' ' ' LEU . 38.5 mttm -61.72 -50.85 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -55.92 -28.23 55.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.549 HG23 ' CD2' ' A' ' 77' ' ' HIS . 60.8 mt -84.02 -46.22 18.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 74' ' ' ILE . 92.0 mt -72.44 -6.26 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -105.05 -31.62 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.91 -50.4 4.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 73' ' ' ILE . 93.8 m-70 -78.3 -52.58 8.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 9.4 m-85 -109.65 178.27 4.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.5 mm -106.29 103.57 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -52.06 105.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -142.49 114.92 8.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -125.48 124.84 42.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.1 m -139.23 162.95 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.84 158.85 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.531 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 15.5 p-80 -64.96 -47.89 75.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.531 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 51.1 m-20 -56.93 -48.34 78.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.469 ' O ' ' C ' ' A' ' 88' ' ' GLU . 77.1 p -52.89 127.76 24.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 87' ' ' SER . 0.8 OUTLIER -32.64 -38.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 87' ' ' SER . 4.7 mp0 -54.88 -56.75 16.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.5 -45.63 75.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -49.16 -60.48 2.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.338 . . . . 0.0 110.944 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 26.3 mtp85 -48.55 -28.33 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.81 ' CE1' HD12 ' A' ' 47' ' ' ILE . 5.0 t80 -72.23 -52.81 14.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 95' ' ' GLN . 34.2 mt -58.91 -22.94 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.153 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' C ' ' O ' ' A' ' 94' ' ' ILE . 86.0 mt-30 -35.75 -66.5 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -94.84 -38.89 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CE2' ' CZ ' ' A' ' 93' ' ' TYR . 4.0 m-85 -54.08 -40.67 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt 61.82 33.04 17.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.682 HD12 ' CB ' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -51.99 153.65 2.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -144.34 -27.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -129.73 172.8 11.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.542 ' CE2' HD21 ' A' ' 99' ' ' LEU . 0.6 OUTLIER -140.7 157.57 67.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 110.893 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.81 160.76 87.62 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.312 0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.682 ' CB ' HD12 ' A' ' 99' ' ' LEU . 8.6 t80 -137.1 117.59 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.4 t -137.79 141.66 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.2 m -156.87 161.56 39.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.577 HD11 ' CZ3' ' A' ' 119' ' ' TRP . 3.5 mp -96.84 125.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 108' ' ' LEU . 0.4 OUTLIER -116.14 140.86 48.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.653 ' CG ' HD11 ' A' ' 116' ' ' LEU . 7.9 m-20 -99.19 125.95 39.71 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.712 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -22.04 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.668 2.245 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -68.45 -58.34 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 69.5 p -94.79 -45.06 7.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.42 36.53 7.44 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -126.32 132.31 51.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 110.927 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -58.01 107.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.653 HD11 ' CG ' ' A' ' 109' ' ' ASP . 7.6 mt -78.82 -51.08 10.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.2 m -125.64 146.78 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -126.59 135.74 51.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.577 ' CZ3' HD11 ' A' ' 107' ' ' ILE . 32.9 m0 -132.34 115.35 15.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -80.33 -56.58 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -98.99 125.31 44.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.596 HD23 ' HH2' ' A' ' 65' ' ' TRP . 12.8 tp -130.36 158.41 39.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -152.81 169.02 23.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.3 t -58.89 -48.2 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 t -74.74 -48.28 26.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.807 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 127' ' ' PHE . 5.9 m -59.45 -58.06 10.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.824 ' CE1' HG21 ' A' ' 131' ' ' VAL . 35.9 t80 -36.34 -59.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.481 ' O ' HG23 ' A' ' 132' ' ' THR . 21.3 mt -55.11 -54.06 47.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -42.71 -60.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -64.86 -62.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.824 HG21 ' CE1' ' A' ' 127' ' ' PHE . 95.4 t -42.67 -66.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 128' ' ' LEU . 77.0 p -38.0 -50.83 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.166 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -63.8 -57.01 15.63 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.478 ' CD1' ' CD2' ' A' ' 138' ' ' HIS . 37.1 t80 -42.97 -42.96 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.8 mt -66.59 -44.07 83.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.09 -39.99 98.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.429 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.19 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.478 ' CD2' ' CD1' ' A' ' 134' ' ' PHE . 46.3 m-70 -70.51 -57.67 4.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 99.02 -167.02 21.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.48 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 141' ' ' LEU . 7.7 tp60 -91.31 142.47 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 140' ' ' GLN . 4.5 mp -35.71 -49.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -93.37 166.61 12.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.426 ' C ' ' HG ' ' A' ' 144' ' ' LEU . . . -134.2 49.83 0.89 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.426 ' HG ' ' C ' ' A' ' 143' ' ' GLY . 10.3 mt -151.06 129.06 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 48.0 m -77.26 133.13 38.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.1 m -153.44 106.29 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -159.19 173.63 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.0 t -40.85 -44.31 2.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -177.86 84.59 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 2.95 3.06 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.695 2.263 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.4 m -74.53 165.95 24.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.826 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 65.3 p -65.64 163.36 16.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 t -152.69 147.56 26.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -122.93 159.13 28.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.45 -60.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m 54.22 42.13 31.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -131.57 174.59 9.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.498 ' H ' HD12 ' A' ' 8' ' ' ILE . . . -143.83 62.75 0.49 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.467 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.498 HD12 ' H ' ' A' ' 7' ' ' GLY . 5.3 mp -136.97 108.06 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -130.48 140.79 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -141.72 146.67 36.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -140.84 149.55 42.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD12 ' C ' ' A' ' 13' ' ' THR . 1.3 pp -164.66 158.62 18.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.527 ' C ' HD12 ' A' ' 12' ' ' LEU . 26.6 m -74.37 113.66 11.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -116.24 -37.23 3.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.66 127.75 32.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.09 121.33 8.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.072 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -53.28 105.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 pp -51.98 178.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.584 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -105.83 -32.83 8.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -128.97 143.84 50.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.84 144.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.73 17.82 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' PRO . 10.8 pt -33.5 -39.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -52.66 -49.64 64.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 75' ' ' ARG . 22.6 tp -85.14 -32.53 22.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 23' ' ' ILE . 8.8 ttp -94.02 115.39 27.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' CD2' ' H ' ' A' ' 28' ' ' LYS . 8.4 t-160 -61.18 168.92 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' H ' ' CD2' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -54.94 125.14 19.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -48.74 118.71 5.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.444 ' O ' ' CZ2' ' A' ' 81' ' ' TRP . 46.1 p -167.24 154.59 8.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.911 0.386 . . . . 0.0 110.863 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -109.6 -37.87 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 33' ' ' THR . 5.3 pt-20 -88.39 -37.69 15.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 87.0 m -71.66 -39.41 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.59 -56.64 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 mtmt -61.49 -45.77 92.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -49.91 -56.2 11.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.7 t -40.6 -49.72 2.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.65 -38.72 29.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -64.03 -66.6 0.52 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 25.4 mmt -51.3 -61.62 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' ' 41' ' ' GLN . 2.3 mp0 -59.63 -22.87 62.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 64.03 44.92 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' CE ' ' HB3' ' A' ' 41' ' ' GLN . 15.0 mttm -125.33 164.31 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.964 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 91.6 m95 -74.12 162.66 28.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD21 HD11 ' A' ' 47' ' ' ILE . 24.8 tp -116.74 102.32 9.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.4 tpp -94.99 122.71 37.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 93' ' ' TYR . 36.4 mt -123.41 149.49 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 HD22 ' CG2' ' A' ' 105' ' ' VAL . 2.4 t-20 -143.06 117.49 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.0 mm -81.7 122.2 36.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -89.04 143.2 27.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.495 ' OD1' ' CG ' ' A' ' 102' ' ' PHE . 2.7 m-80 -116.38 117.92 31.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HE2' ' A' ' 84' ' ' TYR . 28.1 m -72.63 -28.25 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -86.7 -52.62 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' OD1' ' HB3' ' A' ' 56' ' ' ALA . 12.2 t70 -62.02 142.45 57.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ALA . 2.1 p90 -91.46 -39.53 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -33.55 -55.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' ALA . 7.4 t -36.97 -53.63 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -49.88 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 8.5 t -45.93 -42.35 12.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD11 ' HG3' ' A' ' 103' ' ' PRO . 5.4 mt -57.84 -67.14 0.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -52.65 -19.97 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 17.1 ttt-85 -43.87 -61.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -118.0 -34.83 4.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 94.8 t -55.58 -69.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -82.8 16.75 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -117.45 -27.66 6.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.411 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.2 t-20 -58.52 114.82 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.06 -54.24 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.84 -38.67 10.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.541 HG13 ' CE1' ' A' ' 127' ' ' PHE . 96.7 t -72.24 -51.42 29.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -55.79 -47.31 77.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' ARG . 75.1 m-20 -56.93 -31.6 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 77' ' ' HIS . 96.2 mt -81.43 -42.11 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.477 HD12 HG12 ' A' ' 70' ' ' VAL . 91.8 mt -69.86 -13.83 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . 17.1 ptt180 -96.91 -35.52 10.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.436 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 6.4 tp10 -89.17 -66.44 0.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.576 ' HD2' HG23 ' A' ' 73' ' ' ILE . 89.3 m-70 -63.43 -36.9 85.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 3.8 m-85 -124.8 177.62 5.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 15.4 mm -110.32 102.72 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -56.32 106.62 0.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.458 ' CH2' HG11 ' A' ' 83' ' ' VAL . 8.7 t90 -141.95 102.23 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -112.09 142.35 44.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' CH2' ' A' ' 81' ' ' TRP . 34.8 m -151.15 154.79 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.158 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HE2' HG12 ' A' ' 52' ' ' VAL . 7.3 m-85 -89.97 157.03 18.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -69.81 -41.38 75.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.24 -45.08 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.0 p -59.53 162.25 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.12 -57.45 12.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.46 -53.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 91' ' ' GLN . . . -60.49 -61.52 6.99 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 90' ' ' GLY . 28.4 mm-40 -34.45 -42.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -51.14 11.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 47' ' ' ILE . 17.5 t80 -50.51 -37.51 39.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.57 HG12 HD22 ' A' ' 99' ' ' LEU . 42.2 mt -64.64 -66.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -49.74 -32.86 14.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.667 ' CD2' ' CZ ' ' A' ' 97' ' ' TYR . 4.0 t80 -54.5 -55.79 25.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.667 ' CZ ' ' CD2' ' A' ' 96' ' ' PHE . 11.1 m-85 -99.71 5.43 45.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 94' ' ' ILE . 1.7 mmmp? 60.31 34.4 20.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.827 HD21 ' CE1' ' A' ' 102' ' ' PHE . 3.5 tt -54.9 156.17 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.35 31.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 102' ' ' PHE . 18.8 p30 -160.1 165.82 31.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 110.848 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.827 ' CE1' HD21 ' A' ' 99' ' ' LEU . 8.6 m-85 -158.71 151.82 18.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.655 0.741 . . . . 0.0 110.871 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.616 ' HG3' HD11 ' A' ' 60' ' ' LEU . 53.9 Cg_endo -69.71 158.65 90.64 Favored 'Cis proline' 0 C--O 1.232 0.209 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.391 -0.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -135.77 123.71 22.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.425 ' CG2' HD22 ' A' ' 48' ' ' ASN . 91.5 t -145.94 135.66 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.8 p -159.26 166.43 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.6 mt -95.72 123.3 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.574 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.5 OUTLIER -112.25 147.0 37.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.959 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.574 ' N ' HD13 ' A' ' 108' ' ' LEU . 3.7 t70 -93.93 121.72 63.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.576 0.703 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -10.91 29.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -93.55 -76.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.426 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -70.18 -33.47 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' O ' ' A' ' 109' ' ' ASP . . . 82.16 13.78 78.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.472 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 6.5 tp60 -95.79 145.27 25.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -72.6 131.1 42.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.91 -55.94 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.454 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 17.9 m -125.31 177.92 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.425 ' CD ' ' HE2' ' A' ' 115' ' ' LYS . 25.8 mt-10 -153.23 128.3 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.553 ' CE3' HD21 ' A' ' 122' ' ' LEU . 8.6 m0 -133.53 135.36 44.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -96.42 -54.22 3.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -119.51 108.58 14.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.553 HD21 ' CE3' ' A' ' 119' ' ' TRP . 14.2 mt -99.62 156.08 17.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 127' ' ' PHE . 26.1 m-20 -130.18 165.15 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.6 t -54.57 -42.51 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.1 p -86.13 -53.92 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 33.1 t -51.61 -47.13 63.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.541 ' CE1' HG13 ' A' ' 70' ' ' VAL . 35.8 t80 -59.16 -52.54 65.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 42.3 mt -59.93 -36.51 77.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.55 -39.92 70.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.507 ' OE1' ' CE2' ' A' ' 119' ' ' TRP . 50.3 mt-30 -69.68 -47.66 62.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.454 HG21 ' CE1' ' A' ' 127' ' ' PHE . 99.0 t -66.67 -68.08 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.635 ' HA ' HD12 ' A' ' 135' ' ' LEU . 2.3 m -50.5 -46.12 56.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -65.12 -39.84 96.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 3.1 t80 -63.14 -42.13 99.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 132' ' ' THR . 16.5 mt -54.48 -45.63 73.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -71.85 -43.99 48.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -65.97 -61.98 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.342 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.41 ' HB2' ' CE1' ' A' ' 134' ' ' PHE . 17.3 m-70 -71.7 -52.9 15.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 120.51 -169.88 14.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -120.1 146.82 45.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.6 mp -41.08 -52.88 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.529 ' O ' HD22 ' A' ' 144' ' ' LEU . 1.6 t70 -47.8 -46.01 30.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 142' ' ' ASP . . . -34.12 131.15 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 142' ' ' ASP . 4.1 mm? -92.82 -61.27 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.884 0.373 . . . . 0.0 110.957 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 38.7 t -39.28 -47.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.8 m -107.51 126.44 52.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 34.7 t -165.75 163.63 18.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 t -77.26 133.11 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -95.89 146.86 18.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 3.05 2.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 15.8 m -45.42 -50.57 12.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.821 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 78.6 p -128.23 128.01 43.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -77.4 156.09 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -111.07 160.62 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.26 146.93 9.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -135.64 128.63 31.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.9 t -109.78 108.6 19.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.45 145.8 26.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 8' ' ' ILE . 5.2 mp -116.1 135.97 54.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -80.33 152.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.824 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HD2' HD11 ' A' ' 12' ' ' LEU . 1.0 OUTLIER -122.94 129.06 51.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -90.67 126.63 36.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD11 ' HD2' ' A' ' 10' ' ' LYS . 3.9 mp -148.1 121.3 8.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 m -125.68 107.37 10.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.3 t -164.74 156.19 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.559 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -108.05 177.7 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.94 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -99.78 -36.02 9.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.24 136.19 42.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -117.94 -37.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -68.52 153.65 95.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.557 ' HB2' HG23 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.76 147.65 63.34 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.625 2.217 . . . . 0.0 112.39 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.73 14.19 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.557 HG23 ' HB2' ' A' ' 21' ' ' PRO . 16.8 pt -36.71 -32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' PRO . 38.8 t0 -60.67 -47.2 87.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -57.14 -43.19 82.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.2 177.92 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.92 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -107.16 172.42 6.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -137.2 157.89 45.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 108.74 -139.25 15.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.4 p -121.01 162.11 20.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 0.0 110.87 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.449 ' CG ' ' N ' ' A' ' 32' ' ' GLU . 16.8 p90 -37.72 -50.3 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 31' ' ' PHE . 3.2 tp10 -51.45 -58.65 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.3 m -43.95 -42.87 6.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 31' ' ' PHE . . . -53.76 -50.79 65.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -66.84 -45.94 76.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -48.72 -55.76 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' SG ' ' CD ' ' A' ' 41' ' ' GLN . 48.3 t -44.58 -50.02 9.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -44.69 -35.95 4.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.486 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -72.59 -67.66 0.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.2 mmt -52.15 -54.77 26.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.405 ' CD ' ' SG ' ' A' ' 37' ' ' CYS . 32.9 mt-30 -66.84 -23.39 66.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.56 ' C ' HD12 ' A' ' 141' ' ' LEU . 38.9 m-80 62.69 47.85 4.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -130.42 152.55 49.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.576 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 81.2 m95 -64.53 161.42 17.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 22.2 tp -111.5 118.18 35.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.0 tpp -99.62 120.02 39.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.498 HG21 ' CE1' ' A' ' 93' ' ' TYR . 35.0 mm -106.2 129.33 59.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -135.71 119.31 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.21 131.02 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -108.44 115.15 29.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.439 ' CG ' ' HB2' ' A' ' 54' ' ' ASP . 7.5 p30 -85.78 113.85 22.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG12 ' HE1' ' A' ' 85' ' ' HIS . 14.9 p -60.22 -30.33 45.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -83.74 -62.23 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 51' ' ' ASN . 1.5 m-20 -66.35 157.74 31.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.408 ' C ' ' N ' ' A' ' 57' ' ' CYS . 41.0 m-85 -117.68 -25.09 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.479 ' O ' ' CD1' ' A' ' 60' ' ' LEU . . . -47.02 -18.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.408 ' N ' ' C ' ' A' ' 55' ' ' PHE . 1.7 m -90.76 -55.97 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -59.1 -39.82 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.8 p -45.99 -32.19 2.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.691 HD23 HG11 ' A' ' 64' ' ' VAL . 4.7 mp -61.53 -44.52 96.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -50.01 -15.41 0.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 62' ' ' ARG . 3.8 tpp85 -63.82 -63.13 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -117.99 -38.0 3.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 HD23 ' A' ' 60' ' ' LEU . 57.4 t -48.98 -72.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -72.78 -45.94 55.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.9 t -42.85 -34.67 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 27.9 t-20 -54.63 108.88 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -47.03 -52.58 14.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -47.47 -47.57 27.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 HD21 ' A' ' 128' ' ' LEU . 95.3 t -64.43 -42.89 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HB3' HD11 ' A' ' 25' ' ' LEU . 43.3 mttt -64.17 -62.5 1.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 23.3 m-20 -42.35 -30.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.653 HG23 ' CD2' ' A' ' 77' ' ' HIS . 96.3 mt -80.82 -49.59 18.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' HG12 ' A' ' 70' ' ' VAL . 62.9 mt -62.95 -16.91 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.2 ptm180 -96.23 -45.02 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 5.0 tt0 -78.29 -64.37 1.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.653 ' CD2' HG23 ' A' ' 73' ' ' ILE . 97.9 m-70 -65.85 -43.08 89.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 10.3 m-85 -117.85 178.37 4.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 45.6 mm -109.47 102.03 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.448 ' CB ' HD23 ' A' ' 25' ' ' LEU . 6.1 t80 -56.87 108.95 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.483 ' CZ2' HG11 ' A' ' 83' ' ' VAL . 12.2 t90 -139.65 111.18 7.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -115.77 129.5 56.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.483 HG11 ' CZ2' ' A' ' 81' ' ' TRP . 29.5 m -139.93 145.96 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -73.73 152.21 40.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.578 ' HE1' HG12 ' A' ' 52' ' ' VAL . 19.5 p-80 -80.59 13.99 2.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -112.79 -34.47 5.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.1 p -66.27 169.56 7.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -54.37 -57.78 9.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -45.47 -61.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -47.33 -57.02 7.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.419 ' HA ' HD12 ' A' ' 94' ' ' ILE . 10.7 mm-40 -41.89 -49.76 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 12.1 mtp-105 -56.43 -60.38 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.498 ' CE1' HG21 ' A' ' 47' ' ' ILE . 66.3 t80 -40.75 -56.18 2.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' LYS . 24.0 mt -46.88 -59.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -55.41 -37.8 68.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.472 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -41.56 -61.01 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.5 ' OH ' HD22 ' A' ' 108' ' ' LEU . 61.6 m-85 -112.37 15.14 20.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER 55.52 41.05 31.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.0 tt -57.03 154.84 9.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.429 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -172.45 38.41 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.518 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -158.99 157.71 31.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.541 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 50.3 m-85 -148.44 152.96 39.68 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.6 Cg_endo -69.78 152.05 92.03 Favored 'Cis proline' 0 C--O 1.231 0.161 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.352 0.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -135.66 127.17 28.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.6 t -148.23 126.99 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.8 t -142.28 156.97 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 117' ' ' VAL . 51.8 mt -111.28 125.55 68.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.5 HD22 ' OH ' ' A' ' 97' ' ' TYR . 62.0 mt -108.23 158.39 17.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -97.98 128.34 34.15 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.644 0.735 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -7.02 20.01 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -95.93 -52.47 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 70.3 p -94.38 -45.14 7.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.89 36.67 7.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -121.3 173.96 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HA ' HD23 ' A' ' 108' ' ' LEU . 1.4 tmmt? -80.73 122.11 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 36.6 mt -94.29 -44.34 7.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.481 HG21 ' CH2' ' A' ' 119' ' ' TRP . 11.6 m -142.07 147.25 21.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' C ' ' OE1' ' A' ' 118' ' ' GLU . 0.3 OUTLIER -121.78 122.01 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.481 ' CH2' HG21 ' A' ' 117' ' ' VAL . 15.1 m0 -133.47 124.67 27.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -91.02 -51.44 5.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.546 ' O ' HD12 ' A' ' 122' ' ' LEU . 53.3 tt0 -98.06 124.18 42.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 121' ' ' GLN . 5.1 mp -126.21 109.29 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.85 152.29 30.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.464 ' O ' HD12 ' A' ' 128' ' ' LEU . 87.1 t -41.81 -40.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.4 t -82.55 -61.09 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.464 ' HB3' ' NE2' ' A' ' 130' ' ' GLN . 66.4 m -53.67 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.489 ' CE1' HG21 ' A' ' 131' ' ' VAL . 5.7 t80 -35.33 -63.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.487 HD21 HG22 ' A' ' 70' ' ' VAL . 54.8 mt -56.44 -60.28 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' LEU . 4.2 t70 -37.94 -46.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.464 ' NE2' ' HB3' ' A' ' 126' ' ' SER . 37.8 mt-30 -73.21 -61.31 1.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.489 HG21 ' CE1' ' A' ' 127' ' ' PHE . 86.5 t -54.2 -63.94 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 131' ' ' VAL . 2.3 m -34.64 -55.81 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 136' ' ' GLY . . . -63.51 -52.02 49.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 133' ' ' GLY . 44.1 t80 -36.35 -49.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 139' ' ' GLY . 34.5 mt -63.23 -43.53 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 133' ' ' GLY . . . -55.49 -40.29 77.15 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.449 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -78.85 -60.75 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -68.52 -57.43 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 110.98 -126.43 7.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.46 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.552 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 21.0 mm100 -94.16 -68.34 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.56 HD12 ' C ' ' A' ' 42' ' ' ASN . 1.4 mt -157.99 161.39 38.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.63 33.06 22.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.25 136.96 13.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -150.88 157.69 43.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.2 m -162.35 155.73 20.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.8 m -150.62 138.99 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.6 t 60.62 41.89 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.86 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 58.8 m -130.45 160.42 34.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -143.75 105.36 0.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 102.15 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.9 p -79.85 -41.16 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.9 m 52.55 40.97 30.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.461 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -156.5 148.26 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -158.07 157.14 32.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.53 -179.91 32.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -165.67 159.0 15.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 t -142.68 166.87 23.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.84 175.4 23.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 72.5 mt -140.83 105.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.834 0.35 . . . . 0.0 111.09 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.8 170.97 19.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -73.01 117.1 14.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -109.11 -35.8 6.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 70.3 mt -55.38 137.76 47.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' THR . 6.0 t -154.22 119.95 5.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.8 m -157.5 147.75 20.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 tp -53.66 117.68 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.77 127.42 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.585 ' CB ' HD13 ' A' ' 18' ' ' LEU . 85.7 m-20 -86.99 -67.82 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.907 ' H ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -100.27 144.13 29.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -118.07 -37.94 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -77.22 143.77 70.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.9 64.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 87.03 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 24' ' ' ASP . 10.4 pt -53.01 -27.05 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' N ' HG13 ' A' ' 23' ' ' ILE . 2.0 m-20 -48.34 -44.31 34.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.468 HD11 ' CD ' ' A' ' 71' ' ' LYS . 11.3 mt -64.58 -51.76 61.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 24.7 mtm -53.52 108.91 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CG ' ' N ' ' A' ' 28' ' ' LYS . 83.2 t60 -76.88 169.21 18.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 5.1 mptp? -38.58 -46.93 1.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.0 53.42 0.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' N ' ' HE1' ' A' ' 81' ' ' TRP . 2.3 m -136.82 129.65 30.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.949 0.404 . . . . 0.0 110.904 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.3 -45.26 73.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -67.64 -48.96 65.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.9 m -57.17 -46.89 82.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.45 -47.76 1.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -72.68 -45.9 56.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -56.52 -62.95 1.38 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 38' ' ' GLY . 7.2 m -47.08 -49.5 21.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.75 -37.21 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.462 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -70.23 -63.76 1.02 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 46.5 mtm -54.84 -51.93 64.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' CD ' ' A' ' 41' ' ' GLN . 1.8 mp0 -65.51 -21.11 66.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 m120 62.4 43.94 7.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -133.7 145.43 49.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 97.7 m95 -62.44 178.05 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.8 tp -125.87 117.83 24.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.0 ttm -116.95 105.16 12.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.7 mt -95.62 137.04 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -131.1 118.59 20.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.1 mm -92.79 108.66 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' NE2' ' HB2' ' A' ' 57' ' ' CYS . 7.8 mm100 -88.76 116.17 26.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -67.43 137.59 56.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.4 p -38.28 -38.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -56.07 109.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -83.89 17.5 2.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -102.41 -32.89 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.33 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.481 ' HB2' ' NE2' ' A' ' 50' ' ' GLN . 26.7 p -50.63 -36.55 35.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 59' ' ' CYS . 2.3 pp0? -60.01 -35.84 75.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.415 ' HA ' ' NE2' ' A' ' 58' ' ' GLN . 3.2 t -55.34 -50.13 70.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' C ' ' N ' ' A' ' 62' ' ' ARG . 3.3 mp -71.06 -55.39 8.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 66' ' ' SER . 26.1 t30 -46.06 -19.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 66' ' ' SER . 41.2 ttp180 -58.9 -63.41 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.04 -37.95 3.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 60' ' ' LEU . 75.8 t -47.61 -70.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -76.71 -47.5 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 41.8 t -38.98 -34.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.454 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 17.9 t-20 -53.2 105.33 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -45.13 -55.2 5.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -46.27 -40.87 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 HG13 ' CE1' ' A' ' 127' ' ' PHE . 64.2 t -67.55 -32.73 58.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.149 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' CD ' HD11 ' A' ' 25' ' ' LEU . 15.4 mttp -73.97 -57.59 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.422 ' C ' ' HG2' ' A' ' 75' ' ' ARG . 88.3 m-20 -48.84 -19.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.715 HG23 ' CD2' ' A' ' 77' ' ' HIS . 79.7 mt -88.75 -57.23 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.21 -19.21 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 76' ' ' GLU . 14.3 ptm180 -87.99 -38.53 15.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 17.5 tt0 -89.41 -67.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.715 ' CD2' HG23 ' A' ' 73' ' ' ILE . 77.9 m-70 -52.91 -39.81 63.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.438 ' CE2' HD13 ' A' ' 107' ' ' ILE . 3.2 m-85 -127.51 177.29 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.7 mm -106.64 105.46 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -52.35 111.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.453 ' HE1' ' N ' ' A' ' 30' ' ' SER . 1.4 t90 -141.89 102.65 4.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -115.48 135.89 53.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 83' ' ' VAL . 34.5 m -154.93 127.26 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.1 161.75 10.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 21.7 p-80 -73.1 -44.49 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.466 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 0.5 OUTLIER -48.31 -45.56 35.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -58.18 170.28 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -62.8 -63.23 1.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -39.31 -52.55 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -55.12 -56.84 21.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 95' ' ' GLN . 51.3 mm-40 -44.08 -55.38 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.63 -53.91 27.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -41.44 -46.97 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 77.1 mt -55.17 -47.98 76.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 91' ' ' GLN . 1.8 mp0 -65.25 -11.13 37.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 1.0 OUTLIER -74.03 -65.3 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.55 ' CD2' ' HD3' ' A' ' 115' ' ' LYS . 0.2 OUTLIER -111.09 17.97 19.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.468 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 4.8 mmpt? 52.55 46.48 26.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 2.9 tt -60.68 153.9 22.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 101' ' ' ASP . . . -160.68 38.85 0.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.513 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 100' ' ' GLY . 3.5 m-20 -161.85 154.46 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.547 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 3.3 m-85 -152.16 151.55 27.89 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.726 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.1 Cg_endo -69.85 160.69 87.86 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.337 0.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -135.07 144.03 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 79.8 t -148.34 138.57 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.164 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.5 p -157.45 170.75 21.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 1.028 HG22 HD12 ' A' ' 116' ' ' LEU . 82.8 mt -128.14 139.04 52.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.161 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD21 ' OH ' ' A' ' 97' ' ' TYR . 38.7 mt -120.4 163.41 17.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.459 ' HB2' HD21 ' A' ' 116' ' ' LEU . 5.7 t70 -101.72 132.11 22.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 0.0 110.874 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -10.69 29.24 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.6 mtt-85 -94.47 -51.74 4.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 65.5 p -97.93 -42.87 7.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 36.75 14.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -110.27 172.03 7.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.352 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HD3' ' CD2' ' A' ' 97' ' ' TYR . 4.1 ttpm? -73.62 108.47 6.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.028 HD12 HG22 ' A' ' 107' ' ' ILE . 43.0 mt -77.77 -54.39 6.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.416 HG21 ' CZ2' ' A' ' 119' ' ' TRP . 35.3 m -136.9 172.68 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -141.1 120.37 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.416 ' CZ2' HG21 ' A' ' 117' ' ' VAL . 13.5 m0 -132.46 128.48 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -96.93 -54.47 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.83 108.78 14.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.476 HD13 ' CD2' ' A' ' 127' ' ' PHE . 33.4 mt -108.52 142.47 38.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' A' ' 127' ' ' PHE . 34.5 t70 -123.36 173.12 8.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.61 -49.75 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.6 t -75.22 -51.59 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.2 m -57.2 -60.67 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.58 ' CE1' HG21 ' A' ' 131' ' ' VAL . 46.2 t80 -42.71 -67.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -40.71 -54.55 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -54.03 -50.95 65.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.403 ' NE2' ' NE1' ' A' ' 119' ' ' TRP . 10.4 mm-40 -55.49 -51.3 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.58 HG21 ' CE1' ' A' ' 127' ' ' PHE . 92.3 t -63.03 -64.32 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 36.6 p -42.84 -47.14 5.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -72.43 -40.18 55.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.546 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -58.35 -48.3 81.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.62 -41.98 61.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -76.03 -44.02 20.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -45.69 -56.01 5.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.377 . . . . 0.0 110.917 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -90.32 -54.49 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 115.04 159.25 12.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -74.93 157.78 34.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.3 mp -61.19 171.41 1.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -48.33 -47.94 36.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.11 160.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 144' ' ' LEU . 3.8 pp -73.64 173.54 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 31.5 p -157.31 149.46 22.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.7 m -127.57 160.38 31.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.4 t -94.33 114.96 27.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 46.9 t -112.07 125.44 54.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 138.05 156.45 7.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 148.05 64.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.735 2.29 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.5 t -37.93 -54.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 33.9 p -64.42 -54.56 30.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 t -125.74 143.48 51.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 p -152.36 167.39 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 102.1 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 p -93.57 -55.26 3.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -158.36 162.86 37.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.29 74.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.498 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.1 pt -124.82 127.44 72.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 111.148 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -147.39 112.72 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -142.66 114.95 8.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -153.15 144.92 23.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -98.33 110.29 22.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.603 ' HB ' HD12 ' A' ' 15' ' ' LEU . 38.5 m -160.47 157.84 28.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.474 ' N ' HG22 ' A' ' 13' ' ' THR . 24.5 p -42.35 -56.56 2.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.603 HD12 ' HB ' ' A' ' 13' ' ' THR . 4.0 mp 59.86 46.96 10.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' O ' HD22 ' A' ' 18' ' ' LEU . . . -52.03 130.09 28.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -64.81 104.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 16' ' ' ALA . 4.5 mm? -57.46 123.5 15.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -40.0 -61.4 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -140.75 132.42 14.01 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 133.14 24.8 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.671 2.248 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 5.1 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.332 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 22' ' ' PRO . 4.2 pt -35.74 -34.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 22' ' ' PRO . 7.7 t0 51.69 38.71 23.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.613 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER 60.53 34.19 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 32.3 mtm -75.33 148.48 39.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 13.4 t-160 -118.0 -28.38 5.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 30.9 pttt 45.41 32.19 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.39 120.53 4.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 60.0 p -66.68 -178.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.418 ' CE2' ' NH2' ' A' ' 92' ' ' ARG . 66.8 t80 -56.69 -63.46 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -55.15 -55.52 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 m -52.8 -44.28 66.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.03 -67.01 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.055 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -48.76 -41.36 32.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -60.3 -45.52 93.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 38' ' ' GLY . 28.0 m -57.0 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 37' ' ' CYS . . . -35.27 -37.63 0.13 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 75.7 mt-30 -65.9 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 30.8 mmt -60.7 -51.21 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -65.16 -25.64 67.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.651 ' C ' HD12 ' A' ' 141' ' ' LEU . 33.5 m120 65.42 47.5 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -135.68 150.99 49.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.541 ' CE2' ' O ' ' A' ' 140' ' ' GLN . 73.0 m95 -62.22 170.4 2.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 47' ' ' ILE . 51.4 tp -123.15 120.65 33.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.5 ttm -101.75 109.72 21.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.865 HG21 ' CE1' ' A' ' 93' ' ' TYR . 46.9 mm -92.3 132.11 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -139.02 126.48 21.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.586 HD11 ' CD2' ' A' ' 93' ' ' TYR . 28.7 mm -94.9 104.32 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.562 ' OE1' ' CE1' ' A' ' 84' ' ' TYR . 1.2 tm0? -56.35 112.27 1.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 54' ' ' ASP . 39.8 p-10 -76.05 129.83 37.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.4 m -95.87 -33.28 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.29 -49.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.506 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 32.4 t70 -70.07 156.34 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -117.95 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.51 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -38.08 -47.82 1.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.506 ' HB3' ' ND2' ' A' ' 51' ' ' ASN . 7.4 t -56.04 -68.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 59' ' ' CYS . 1.1 pp0? -48.48 -30.55 5.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 58' ' ' GLN . 8.1 t -54.81 -43.26 72.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 56' ' ' ALA . 4.1 mp -55.52 -53.88 50.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 65' ' ' TRP . 10.7 t-20 -42.58 -31.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -42.25 -61.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -117.96 -35.57 3.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.539 HG12 ' CE3' ' A' ' 65' ' ' TRP . 85.5 t -54.31 -68.85 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CE3' HG12 ' A' ' 64' ' ' VAL . 10.6 m95 -83.13 17.53 1.98 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.4 m -112.78 -34.68 5.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 68' ' ' GLU . 8.3 t-20 -51.9 103.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.492 ' HA ' ' CG ' ' A' ' 71' ' ' LYS . 42.9 tt0 -33.7 -57.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -41.39 -47.94 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG22 HD21 ' A' ' 128' ' ' LEU . 59.8 t -67.82 -37.52 78.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 68' ' ' GLU . 4.5 mmmm -51.81 -53.68 37.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 70.8 m-20 -56.74 -22.22 33.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG23 ' CD2' ' A' ' 77' ' ' HIS . 93.9 mt -84.38 -47.88 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' HG22 ' A' ' 74' ' ' ILE . 90.4 mt -69.71 -7.1 7.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 72' ' ' ASN . 32.2 ptt85 -104.32 -38.01 7.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -94.02 -64.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.499 ' CD2' HG23 ' A' ' 73' ' ' ILE . 89.4 m-70 -60.61 -41.66 95.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.707 ' HE2' HD13 ' A' ' 107' ' ' ILE . 3.9 m-85 -127.02 173.68 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 27' ' ' HIS . 32.8 mm -114.93 135.63 54.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.613 ' CD2' ' O ' ' A' ' 25' ' ' LEU . 27.5 t80 -71.64 113.23 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -135.1 103.63 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -121.71 127.71 51.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 89' ' ' GLU . 27.1 m -139.57 133.27 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' OE1' ' A' ' 50' ' ' GLN . 12.4 m-85 -72.34 124.86 25.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -38.14 -40.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.03 -45.03 78.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' TYR . 9.7 p -52.58 148.04 7.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -46.67 -61.54 1.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.437 ' HB3' HG11 ' A' ' 83' ' ' VAL . 25.6 mt-10 -44.24 -41.06 5.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.496 ' O ' HD12 ' A' ' 94' ' ' ILE . . . -57.68 -67.39 2.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.717 ' HA ' HD13 ' A' ' 94' ' ' ILE . 7.7 mm-40 -36.25 -45.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.418 ' NH2' ' CE2' ' A' ' 31' ' ' PHE . 44.6 mmm-85 -46.91 -54.47 9.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.865 ' CE1' HG21 ' A' ' 47' ' ' ILE . 25.0 t80 -54.6 -55.46 29.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.717 HD13 ' HA ' ' A' ' 91' ' ' GLN . 4.7 mp -44.2 -43.25 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 96' ' ' PHE . 37.1 mm-40 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.793 ' CD1' ' CE1' ' A' ' 97' ' ' TYR . 0.8 OUTLIER -36.28 -68.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.793 ' CE1' ' CD1' ' A' ' 96' ' ' PHE . 5.5 m-85 -112.86 17.89 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? 59.98 38.62 20.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 99' ' ' LEU . 1.0 OUTLIER -55.91 156.94 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -170.75 43.43 0.19 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.538 ' O ' ' CG ' ' A' ' 102' ' ' PHE . 0.6 OUTLIER -160.48 167.48 27.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.542 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 12.6 m-85 -161.83 152.68 14.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.659 0.742 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.9 Cg_endo -69.73 157.6 91.81 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.347 -0.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -136.2 137.49 40.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.9 t -145.91 138.19 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.2 t -157.37 148.64 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.798 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.707 HD13 ' HE2' ' A' ' 78' ' ' PHE . 71.1 mt -108.14 122.33 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.37 169.31 8.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -115.42 123.65 31.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.873 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.46 ' O ' ' CG ' ' A' ' 39' ' ' GLN . 54.0 Cg_endo -69.72 -5.89 17.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.71 2.273 . . . . 0.0 112.392 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -97.88 -50.21 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.4 p -96.57 -43.6 7.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.51 37.63 9.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -118.51 175.92 5.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.887 0.375 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -90.92 109.18 20.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 46.0 mt -80.76 -61.29 2.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.455 HG21 HD12 ' A' ' 107' ' ' ILE . 25.7 m -123.68 171.6 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.208 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -154.65 118.45 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 122' ' ' LEU . 8.8 m0 -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' ' 103' ' ' PRO . 27.9 t60 -94.21 -58.52 2.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -112.66 120.69 42.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 119' ' ' TRP . 12.7 mt -125.83 164.17 21.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -138.46 171.61 14.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.5 t -52.95 -58.84 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.5 t -72.33 -50.15 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.3 t -48.84 -47.64 42.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.757 ' CE2' HG21 ' A' ' 131' ' ' VAL . 75.0 t80 -52.17 -62.44 1.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 132' ' ' THR . 15.3 mt -50.17 -48.21 54.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -51.26 -47.72 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -72.25 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.757 HG21 ' CE2' ' A' ' 127' ' ' PHE . 95.8 t -42.92 -60.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.686 HG23 ' O ' ' A' ' 128' ' ' LEU . 79.2 p -42.53 -49.44 5.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 134' ' ' PHE . . . -55.63 -62.21 6.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.443 ' C ' ' CD1' ' A' ' 134' ' ' PHE . 4.4 t80 -37.69 -56.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.88 -49.8 76.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -54.36 -36.31 57.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -81.08 -61.91 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -88.3 -63.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 122.99 -152.46 16.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.518 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.541 ' O ' ' CE2' ' A' ' 44' ' ' TRP . 34.8 tt0 -84.02 -68.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.86 0.362 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 42' ' ' ASN . 30.4 mt -154.25 173.13 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.84 146.06 38.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -78.12 123.69 6.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.408 ' O ' HD12 ' A' ' 144' ' ' LEU . 4.1 pp -86.34 147.68 25.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.7 m -98.07 -45.7 6.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 42.2 t -56.51 148.21 20.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 t -74.27 137.11 42.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.5 p -121.01 125.4 47.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.851 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . -111.3 92.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.442 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 142.22 47.12 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 53.9 p -75.51 136.37 40.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.7 t -122.91 116.21 23.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -118.66 147.85 43.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -89.92 -44.78 9.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.67 142.88 13.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.466 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -64.97 162.85 15.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 110.887 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 t -79.77 129.8 34.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.87 -168.98 29.87 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 pt -111.66 114.34 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.68 126.05 10.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.65 -50.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tttt -168.06 154.88 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 12' ' ' LEU . 2.5 pt? -127.29 127.97 45.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.3 t -167.97 158.45 10.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 82.3 p -66.06 120.04 12.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.37 117.24 6.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -149.19 171.55 16.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -87.39 179.02 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -109.59 104.44 13.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -110.92 -37.98 5.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -111.45 143.5 28.63 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.564 0.697 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.75 140.94 43.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' O ' ' C ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.78 14.01 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.345 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.533 HD12 ' N ' ' A' ' 24' ' ' ASP . 1.4 pp -32.02 -44.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.533 ' N ' HD12 ' A' ' 23' ' ' ILE . 18.5 t0 40.93 44.82 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' A' ' 80' ' ' PHE . 1.0 OUTLIER 52.44 43.03 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 37.1 mtm -83.49 145.38 28.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 28' ' ' LYS . 32.3 t-80 -131.46 174.74 9.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' ' CG ' ' A' ' 27' ' ' HIS . 37.6 tttm -52.04 114.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.11 91.79 0.54 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.6 m -157.28 129.78 7.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.834 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.46 ' CZ ' ' HE3' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -62.74 -44.35 96.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -67.22 -51.43 53.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 34' ' ' ALA . 13.5 m -55.36 -56.58 18.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 33' ' ' THR . . . -34.22 -51.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HE3' ' CZ ' ' A' ' 31' ' ' PHE . 13.0 mtmm -72.69 -46.2 54.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -50.33 -57.52 7.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 t -40.44 -50.65 2.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -51.02 -39.55 41.22 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -65.63 -66.62 0.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.352 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -54.77 -56.06 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -67.37 -21.5 65.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.56 47.77 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -132.67 154.84 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 87.4 m95 -63.54 173.45 1.64 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD23 ' HB3' ' A' ' 108' ' ' LEU . 19.0 tp -122.44 126.6 48.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 35.0 tpp -117.05 111.12 19.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 HD21 ' A' ' 45' ' ' LEU . 72.9 mt -108.7 143.57 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.65 ' OD1' HG22 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.34 114.13 4.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.2 mm -81.22 116.63 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.605 ' HG3' ' CD1' ' A' ' 84' ' ' TYR . 14.3 pt20 -78.45 122.94 26.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.416 ' OD1' ' CD2' ' A' ' 102' ' ' PHE . 50.1 m-80 -76.61 133.08 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.474 HG12 ' CE1' ' A' ' 84' ' ' TYR . 27.2 m -85.23 -30.17 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -97.73 -44.27 6.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -82.52 115.12 21.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -77.82 7.11 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -50.16 -47.75 54.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.441 ' HA ' HD13 ' A' ' 60' ' ' LEU . 8.6 p -56.64 -50.99 70.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 59' ' ' CYS . 6.7 mm100 -41.38 -63.53 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 58' ' ' GLN . 1.9 t -34.28 -46.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD23 HG11 ' A' ' 64' ' ' VAL . 5.3 mp -64.55 -52.32 58.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -51.09 -12.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.519 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.8 tpt180 -72.12 -63.06 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -118.02 -38.04 3.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.67 HG11 HD23 ' A' ' 60' ' ' LEU . 85.9 t -50.14 -71.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 28.0 m95 -75.66 -45.21 38.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 62' ' ' ARG . 7.0 t -41.88 -35.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' HB3' HG23 ' A' ' 70' ' ' VAL . 2.8 t-20 -52.7 104.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -42.83 -50.25 5.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.78 14.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.677 HG13 ' CE2' ' A' ' 127' ' ' PHE . 89.4 t -68.48 -37.58 77.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -65.22 -41.92 93.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -65.23 -28.56 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.613 HG23 ' CD2' ' A' ' 77' ' ' HIS . 76.6 mt -82.19 -42.23 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.608 ' O ' HG22 ' A' ' 74' ' ' ILE . 76.2 mt -74.48 -2.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.9 ptt85 -111.05 -34.55 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -93.28 -53.86 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.613 ' CD2' HG23 ' A' ' 73' ' ' ILE . 93.0 m-70 -74.35 -41.8 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' TRP . 2.9 m-85 -126.82 174.72 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 38.0 mm -111.04 109.27 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 25' ' ' LEU . 14.5 t80 -60.14 116.92 4.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -140.85 106.97 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -124.91 127.05 46.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.6 m -141.46 134.2 29.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.605 ' CD1' ' HG3' ' A' ' 50' ' ' GLN . 21.5 m-85 -54.41 141.45 30.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 86' ' ' ASP . 4.0 p-80 -62.88 -45.0 94.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.495 ' N ' ' CG ' ' A' ' 85' ' ' HIS . 1.1 p-10 -50.36 -45.68 55.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.0 p -54.3 163.13 0.9 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -56.11 -59.62 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -47.19 -57.55 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -42.34 -61.45 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -41.67 -50.22 4.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -47.83 -55.67 9.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 47' ' ' ILE . 48.5 t80 -45.88 -47.24 16.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 98' ' ' LYS . 94.9 mt -50.48 -61.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.153 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -56.16 -38.02 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.44 ' HB3' ' CD1' ' A' ' 97' ' ' TYR . 2.6 t80 -45.83 -63.32 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.494 ' OH ' HD13 ' A' ' 108' ' ' LEU . 1.1 m-85 -104.62 13.08 32.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' ILE . 7.9 mmmm 52.1 43.88 30.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.943 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.69 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 0.7 OUTLIER -54.85 157.11 3.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' HD23 ' A' ' 99' ' ' LEU . . . -152.34 -38.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.432 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -107.5 176.93 4.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.69 ' CZ ' HD11 ' A' ' 99' ' ' LEU . 37.3 m-85 -150.2 156.85 37.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.4 Cg_endo -69.86 168.84 66.44 Favored 'Cis proline' 0 C--N 1.342 0.224 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.3 0.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.6 ' CG ' HD12 ' A' ' 99' ' ' LEU . 14.4 t80 -135.45 122.85 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.65 HG22 ' OD1' ' A' ' 48' ' ' ASN . 83.8 t -139.45 128.64 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 21.4 t -149.66 149.31 30.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 117' ' ' VAL . 65.0 mt -104.13 119.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.576 ' HB3' HD23 ' A' ' 45' ' ' LEU . 10.3 tp -103.62 155.68 18.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' GLY . 16.2 t0 -95.23 122.62 59.3 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.06 20.09 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.638 2.225 . . . . 0.0 112.374 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -95.98 -49.6 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.6 p -102.11 -36.24 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.129 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 109' ' ' ASP . . . 80.11 36.0 25.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -120.78 133.66 55.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.936 0.398 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.13 119.08 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 27.6 mt -98.03 -42.47 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 107' ' ' ILE . 16.8 m -128.99 149.02 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -133.77 128.18 34.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -133.37 128.45 35.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -84.68 -52.44 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -107.56 146.05 32.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.75 HD21 ' CD1' ' A' ' 127' ' ' PHE . 5.1 tp -142.52 158.0 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -156.86 168.64 26.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 64' ' ' VAL . 57.9 t -43.1 -59.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -74.3 -57.31 4.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.3 t -38.03 -54.75 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.75 ' CD1' HD21 ' A' ' 122' ' ' LEU . 70.1 t80 -49.99 -61.37 2.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.4 mt -53.21 -56.03 19.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -43.74 -45.68 7.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.453 HE22 HD12 ' A' ' 122' ' ' LEU . 34.1 mt-30 -71.07 -59.15 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 94.7 t -47.29 -61.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 39.3 p -44.71 -46.29 10.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.14 -43.91 96.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -65.0 -55.97 15.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.3 mt -49.47 -46.7 48.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.76 -40.33 93.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.48 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -66.15 -60.4 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -74.59 -64.56 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 105.77 170.31 23.5 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 141' ' ' LEU . 2.0 tp60 -58.9 147.34 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.899 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 140' ' ' GLN . 7.3 mp -52.58 161.08 0.76 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 142.18 36.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 121.2 118.62 2.59 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.981 HD22 ' N ' ' A' ' 145' ' ' SER . 0.0 OUTLIER -71.45 162.38 29.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.981 ' N ' HD22 ' A' ' 144' ' ' LEU . 96.4 p -156.86 128.48 7.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 16.6 t -66.23 145.73 55.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 156.44 26.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.6 m -48.32 -60.42 2.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 149.41 66.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 2.74 3.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.1 t -68.91 116.01 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 19.6 m -140.54 175.94 9.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -153.59 170.86 19.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -154.35 139.94 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.884 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.25 140.56 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.9 p -162.07 163.99 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.6 p -161.24 176.74 10.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.819 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.55 62.32 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.478 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.805 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -122.27 135.17 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' C ' ' HD2' ' A' ' 10' ' ' LYS . 4.4 p30 -167.96 176.31 6.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.54 151.03 39.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -153.47 147.01 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 12' ' ' LEU . 1.7 pt? -154.81 127.3 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.9 p -141.46 117.04 10.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.6 t -156.97 151.85 25.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -139.35 135.53 33.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.911 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -142.34 152.8 43.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.89 -68.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -107.75 156.31 19.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.478 ' N ' HD22 ' A' ' 18' ' ' LEU . 31.7 m-85 -98.0 -50.04 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -118.12 143.12 32.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.74 170.7 15.94 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HA ' ' OD2' ' A' ' 24' ' ' ASP . 53.8 Cg_endo -69.77 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 24' ' ' ASP . 38.5 pt -54.83 -13.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -33.5 -61.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.822 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.7 HD11 ' HD3' ' A' ' 71' ' ' LYS . 11.0 mt -65.6 -50.77 63.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 23' ' ' ILE . 58.1 mtm -60.49 113.76 2.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.5 t-80 -88.83 108.72 19.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -58.31 157.71 8.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 127.75 -142.72 13.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.9 m -138.2 176.49 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.82 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -58.71 -49.34 77.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.43 -41.32 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 35' ' ' LYS . 12.8 m -57.61 -53.46 57.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -37.42 -30.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 33' ' ' THR . 5.8 mtmp? -79.5 -49.92 11.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 37' ' ' CYS . 10.6 pt-20 -62.07 -46.68 88.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' ' CG ' ' A' ' 36' ' ' GLU . 47.1 t -51.08 -51.63 51.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 42' ' ' ASN . . . -44.32 -38.42 5.08 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -68.39 -66.63 0.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.803 0.335 . . . . 0.0 110.918 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.9 mmt -43.32 -53.26 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -79.22 -19.13 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 38' ' ' GLY . 12.8 m120 62.54 45.24 6.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -124.06 157.35 34.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.638 ' CZ3' HD11 ' A' ' 116' ' ' LEU . 41.5 m95 -66.96 170.52 6.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.961 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.1 tp -119.07 117.17 28.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.5 tpp -114.81 115.41 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.6 mt -113.58 144.74 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.59 111.13 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 38.3 mm -84.53 112.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -82.59 164.24 20.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.5 ' OD1' ' CB ' ' A' ' 102' ' ' PHE . 35.1 m120 -124.04 143.12 50.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.538 HG12 ' HE2' ' A' ' 84' ' ' TYR . 35.2 m -87.81 -22.35 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG3' HG23 ' A' ' 52' ' ' VAL . 54.8 mt-30 -95.33 -62.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -54.64 146.69 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 56' ' ' ALA . 0.3 OUTLIER -99.71 -30.68 11.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 55' ' ' PHE . . . -37.12 -53.97 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.6 p -45.59 -49.43 14.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -55.39 -68.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 37.8 t -43.08 -39.84 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.99 -66.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -54.41 -17.85 3.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' CYS . 16.7 ttt180 -45.5 -62.14 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.98 -37.61 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.555 ' HA ' HG22 ' A' ' 124' ' ' VAL . 80.5 t -51.72 -68.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -82.95 16.88 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -111.97 -31.61 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 68' ' ' GLU . 3.3 t-20 -56.43 106.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 67' ' ' ASN . 4.9 tt0 -33.87 -52.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -44.14 -47.97 9.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HD12 ' A' ' 74' ' ' ILE . 84.1 t -69.06 -31.73 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.7 ' HD3' HD11 ' A' ' 25' ' ' LEU . 50.6 mttt -68.5 -55.05 13.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' ' 72' ' ' ASN . 0.6 OUTLIER -54.85 -28.89 53.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 61.5 mt -81.16 -45.18 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.155 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD12 HG12 ' A' ' 70' ' ' VAL . 71.7 mt -71.76 -17.07 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.09 -35.83 10.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -86.43 -63.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -67.7 -35.7 79.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 78' ' ' PHE . 6.0 m-85 -124.85 175.47 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.0 mm -108.66 106.21 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 25' ' ' LEU . 66.3 t80 -59.04 110.86 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.613 ' CH2' HG21 ' A' ' 83' ' ' VAL . 9.0 t90 -140.54 106.93 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -120.92 121.53 38.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG21 ' CH2' ' A' ' 81' ' ' TRP . 15.8 m -137.81 134.3 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.538 ' HE2' HG12 ' A' ' 52' ' ' VAL . 6.3 m-85 -67.18 142.06 57.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -57.46 -51.14 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -42.1 -41.44 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.2 p -52.59 171.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -72.91 -43.52 62.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' HG3' HG11 ' A' ' 83' ' ' VAL . 24.3 pm0 -72.55 -26.48 61.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 89' ' ' GLU . . . -70.15 -37.37 72.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 94' ' ' ILE . 61.2 mm-40 -65.67 -57.57 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' GLN . 59.3 mtp85 -36.44 -62.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 96' ' ' PHE . 7.4 t80 -36.68 -49.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' A' ' 91' ' ' GLN . 72.9 mt -44.47 -59.98 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -53.37 -39.29 64.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.617 ' CE1' ' CE2' ' A' ' 97' ' ' TYR . 2.0 t80 -39.72 -66.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 96' ' ' PHE . 0.1 OUTLIER -111.04 14.58 21.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 94' ' ' ILE . 20.8 mmtp 57.23 44.61 21.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.467 HD12 ' CG ' ' A' ' 104' ' ' TYR . 3.5 tt -60.59 155.48 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.8 40.0 0.19 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.486 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.523 ' C ' ' CG ' ' A' ' 102' ' ' PHE . 1.1 p30 -164.14 169.85 17.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.537 ' HA ' ' C ' ' A' ' 103' ' ' PRO . 0.6 OUTLIER -162.11 152.65 14.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.654 0.74 . . . . 0.0 110.848 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 102' ' ' PHE . 53.8 Cg_endo -69.73 152.19 92.02 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.35 -0.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.467 ' CG ' HD12 ' A' ' 99' ' ' LEU . 10.9 t80 -135.01 122.2 21.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 90.0 t -142.47 136.44 28.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.0 p -156.03 157.93 36.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 117' ' ' VAL . 72.4 mt -97.18 120.9 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 109' ' ' ASP . 0.4 OUTLIER -105.38 153.59 21.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.738 ' N ' HD13 ' A' ' 108' ' ' LEU . 11.3 t0 -94.39 113.7 61.54 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.596 0.712 . . . . 0.0 110.868 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -9.35 25.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 -96.05 -71.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 109' ' ' ASP . 0.0 OUTLIER -75.77 -35.41 60.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.8 -2.36 66.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.461 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.68 151.76 26.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD3' ' C ' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -75.29 123.67 25.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD11 ' CZ3' ' A' ' 44' ' ' TRP . 86.5 mt -83.99 -46.09 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.639 HG22 ' HB ' ' A' ' 107' ' ' ILE . 6.7 m -147.48 168.49 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -144.02 124.44 13.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.522 ' CZ3' ' OE1' ' A' ' 130' ' ' GLN . 19.2 m0 -126.95 134.07 50.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -95.66 -44.88 7.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -118.82 144.08 46.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.5 mt -142.35 160.38 40.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -145.44 166.01 26.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.596 ' O ' HD12 ' A' ' 128' ' ' LEU . 96.4 t -56.68 -43.48 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 5.1 t -80.21 -55.12 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 35.2 m -53.57 -60.77 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 70' ' ' VAL . 73.5 t80 -46.19 -53.54 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 124' ' ' VAL . 45.6 mt -55.87 -22.92 27.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -87.36 -58.28 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.522 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.0 OUTLIER -55.14 -36.19 65.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 127' ' ' PHE . 24.8 t -68.41 -60.19 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.8 p -52.5 -48.65 65.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.58 -42.74 97.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PHE . . . . . 0.519 ' HA ' ' CD ' ' A' ' 137' ' ' GLU . 3.7 t80 -60.12 -40.16 88.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 139' ' ' GLY . 32.4 mt -58.94 -45.44 90.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -66.8 -57.54 9.68 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.519 ' CD ' ' HA ' ' A' ' 134' ' ' PHE . 10.0 pt-20 -45.19 -47.09 12.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.414 ' N ' ' HG3' ' A' ' 137' ' ' GLU . 4.6 m-70 -87.98 -65.54 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 135' ' ' LEU . . . 103.73 153.29 23.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -53.75 156.11 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 142' ' ' ASP . 9.0 mp -54.16 -61.85 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 141' ' ' LEU . 6.5 p-10 -37.08 -48.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -42.12 148.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.434 HD22 ' N ' ' A' ' 144' ' ' LEU . 2.7 mm? -80.07 -49.93 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 m -53.71 111.21 0.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 47.3 t -130.27 146.17 51.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.8 t -57.37 -61.26 2.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 36.4 t -135.69 140.92 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 95.5 125.71 4.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 135.5 30.77 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 73.1 m -92.11 124.18 36.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 30.4 t -74.12 115.27 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.968 . . . . . . . . 0 0 . 1 stop_ save_