data_2rvn_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 2rvn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 73.32 110.954 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 65.34 111.147 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.106 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.145 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 74.42 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.92 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 54.22 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 71.42 112.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.31 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.13 110.913 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.955 0.407 . . . . 73.43 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.14 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.55 111.17 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 75.2 110.953 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 64.31 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 72.42 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.113 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.894 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 71.35 112.374 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 64.22 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 75.42 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 65.33 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 73.25 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 74.53 111.142 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.05 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.12 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.25 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 72.42 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.851 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 70.34 110.913 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 72.54 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 72.24 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.918 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.1 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.929 0.395 . . . . 73.22 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.099 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.08 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 73.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.03 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.868 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.934 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 63.21 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.24 111.157 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 75.34 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 65.1 110.877 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 63.51 112.321 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.956 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.914 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.917 0.389 . . . . 74.44 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 72.34 111.107 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.172 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 74.41 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 75.54 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.12 110.946 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 72.15 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 62.23 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 64.04 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 73.42 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 64.42 111.081 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 70.3 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.904 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.88 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 74.53 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 72.3 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 74.24 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 64.32 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 60.25 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 73.05 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.35 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.32 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 54.41 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 73.22 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 75.52 112.341 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.872 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.51 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.871 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 74.32 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.142 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 61.24 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.02 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 73.11 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 73.35 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.34 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.15 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 62.14 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.922 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 53.23 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.5 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 62.54 110.954 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 64.42 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 71.21 110.853 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 75.13 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.926 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 73.31 110.919 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.074 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.05 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 74.43 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 64.31 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.55 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.31 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.42 110.882 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.905 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 71.22 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 72.31 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 72.13 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.883 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.33 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 75.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.891 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.22 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.45 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.33 110.904 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.927 0.394 . . . . 75.44 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.201 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 71.12 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 64.52 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.9 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 71.11 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.05 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.944 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.147 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 72.04 110.881 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.966 0.412 . . . . 72.1 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.53 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 70.34 110.948 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 70.12 110.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.35 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.185 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.879 0.371 . . . . 72.43 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.075 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.14 111.117 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.136 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.53 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 64.01 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 73.13 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.898 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.918 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 74.4 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 63.24 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.132 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 73.04 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.136 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.924 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.965 0.412 . . . . 75.02 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.061 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 72.3 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 75.14 111.104 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 73.13 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.42 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 74.41 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.13 111.116 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.942 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 53.24 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.33 111.115 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.402 . . . . 74.51 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 71.41 111.15 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.43 111.119 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.879 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 62.33 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 75.02 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 75.25 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.3 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 74.51 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.942 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.135 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.943 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 73.42 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.3 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 75.33 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.884 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.921 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.13 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 74.24 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 74.34 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 74.51 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.856 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 62.22 112.356 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 71.34 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.923 0.392 . . . . 73.24 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 61.23 110.96 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 62.23 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 65.32 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 61.33 111.193 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 65.55 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 65.43 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 75.1 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.976 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.01 111.11 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.95 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 75.21 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.194 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 72.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 73.33 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 74.5 110.865 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 44.15 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.41 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 73.25 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.897 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.12 111.1 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.945 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 75.4 110.85 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 70.12 110.935 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 64.22 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 55.45 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.14 110.875 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.924 0.392 . . . . 74.23 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.34 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.118 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 63.41 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.43 111.19 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.968 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.2 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.128 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.52 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 60.25 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 65.3 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 72.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.948 0.404 . . . . 72.15 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.44 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 75.02 111.11 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 73.44 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.876 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 74.13 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 74.43 110.825 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 73.02 110.98 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.178 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 75.21 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.33 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 74.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 73.12 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 62.2 111.158 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.884 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.932 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.853 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 61.51 110.853 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.31 111.129 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.867 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.944 0.402 . . . . 73.4 110.861 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 73.04 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 73.42 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 73.4 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 60.43 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 70.12 110.854 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 72.51 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.21 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.905 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 72.5 112.357 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 75.33 110.906 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.44 110.948 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 71.24 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 71.1 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.8 m -132.69 152.3 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 72.14 110.881 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -74.69 116.22 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 74.11 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttp -142.95 131.38 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.903 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 89.41 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 75.15 112.556 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.12 153.85 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 74.43 110.905 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -128.76 148.43 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -146.22 131.27 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.15 111.134 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -150.26 109.8 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.863 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -132.88 150.0 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -131.57 136.05 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.153 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.14 146.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.15 111.086 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -91.25 138.24 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.852 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.66 135.79 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.534 -1.212 . . . . 74.41 110.892 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -164.98 148.39 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.79 111.76 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -145.16 -53.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 73.03 110.881 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -80.02 153.0 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.23 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -123.14 141.4 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.954 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 65.34 111.147 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 74.45 111.106 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 72.04 111.145 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 74.42 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 74.42 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.92 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 54.22 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 73.41 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 74.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 71.42 112.332 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.31 110.867 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.92 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -57.82 -51.42 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.13 110.913 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.18 -49.9 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.9 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.29 -44.03 67.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -51.42 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.944 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -57.86 -41.59 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.905 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -53.99 -53.82 47.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 75.31 110.869 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -78.19 145.6 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.04 110.847 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -84.21 115.44 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.15 -142.05 4.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 71.05 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.18 150.14 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 75.34 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -89.6 135.48 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.876 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.84 151.74 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.903 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 75.45 111.1 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -129.66 132.8 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.876 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -132.3 -52.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.44 111.126 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -58.91 157.55 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.895 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -68.09 119.05 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.4 m -142.55 142.75 32.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.158 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.83 160.84 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.2 111.109 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -83.02 173.4 11.8 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.078 0.466 . . . . 73.34 110.817 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.393 0 N-CA-C 108.901 -0.777 . . . . 72.41 108.901 -136.132 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.43 109.07 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 42.02 110.878 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -119.03 154.47 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 62.12 111.146 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.3 72.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 61.23 112.465 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.07 105.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 61.1 112.468 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -75.6 150.8 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 74.1 110.923 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 77.22 2.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 72.33 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.49 30.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 74.33 112.338 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -68.13 -53.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.856 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 70.31 110.946 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.504 -0.238 . . . . 71.42 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -151.1 110.95 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 61.21 110.898 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -141.77 108.9 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 72.45 110.848 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtp -98.49 -53.55 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.36 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 44.04 112.448 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -72.93 108.11 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 75.23 110.902 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.71 145.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.937 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -89.02 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 73.14 111.116 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -139.74 112.7 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.967 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -131.8 107.83 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.1 110.869 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -89.11 109.19 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.132 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.58 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.05 111.102 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 144.89 40.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.29 156.24 43.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.552 -1.204 . . . . 62.34 110.858 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.89 150.89 27.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 62.34 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.55 152.41 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.37 -53.32 3.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.908 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -79.35 146.16 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 74.54 110.846 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -113.08 136.82 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.517 . . . . 73.43 110.889 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.14 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 72.55 111.17 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 75.44 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 75.2 110.953 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 64.31 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 72.42 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.113 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 71.45 110.894 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 71.35 112.374 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.926 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 64.22 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 75.42 110.903 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.31 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 65.33 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -58.92 -52.67 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -67.04 -51.5 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.876 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -53.97 -42.43 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.906 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -50.35 -51.58 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 75.53 110.918 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -60.24 -47.06 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.941 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -56.42 -53.7 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.915 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -74.49 154.2 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.956 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.62 128.38 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.963 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.79 -122.62 0.7 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 55.32 112.497 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.68 120.04 22.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 74.34 110.912 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -149.71 133.21 16.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.922 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -131.64 134.89 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.893 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 71.42 110.919 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.766 0.317 . . . . 71.14 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 149.42 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.932 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -137.59 151.77 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.33 111.118 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.55 152.33 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.843 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -101.84 122.41 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 71.41 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.3 m -135.76 144.55 45.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 74.15 111.138 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.07 155.65 49.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.143 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -78.97 162.02 26.26 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.024 0.44 . . . . 71.54 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.946 -0.761 . . . . 75.43 108.946 -136.192 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -155.45 140.89 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 74.43 110.868 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -107.25 145.62 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 71.42 111.152 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.94 54.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 71.12 112.532 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.14 -64.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 53.24 112.474 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -79.66 111.21 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 72.3 110.881 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.36 160.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.547 0.689 . . . . 75.02 111.139 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 114.83 3.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.619 2.213 . . . . 71.41 112.349 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -106.1 140.14 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 65.32 110.867 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.904 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 55.42 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 m -156.45 132.16 9.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 72.13 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -75.49 126.28 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp -138.29 119.83 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 72.12 110.886 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.72 87.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 74.25 112.474 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -99.14 149.35 23.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.32 . . . . 74.31 110.961 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -79.54 150.31 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 70.23 110.945 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -103.07 155.2 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 71.23 111.169 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 117.25 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.936 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -132.2 148.18 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -108.4 135.17 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.076 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 119.86 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 73.02 111.083 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -125.94 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 74.52 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -60.09 152.35 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.531 -1.213 . . . . 73.44 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.44 146.36 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 55.22 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.91 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 71.44 110.829 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -150.16 144.42 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 73.11 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.77 147.77 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 73.25 110.874 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 74.53 111.142 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 73.24 111.05 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 75.12 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.25 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 73.34 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 65.13 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 72.41 110.935 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 72.42 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.32 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.872 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.53 110.851 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 74.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 70.34 110.913 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 74.15 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 72.54 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 72.24 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.918 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.1 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 65.23 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -57.63 -51.41 69.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.97 -51.75 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.862 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -53.28 -43.45 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 74.42 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -50.38 -51.8 42.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 74.25 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -57.69 -42.42 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 74.55 110.889 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -53.62 51.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 62.54 110.897 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -81.24 159.15 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.853 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.53 138.56 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 71.51 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.02 -148.72 5.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 73.13 112.499 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.51 154.04 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 71.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -99.73 153.55 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 74.03 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -131.98 154.1 49.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 70.45 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.951 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 64.23 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -105.42 133.96 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.889 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -94.22 133.77 37.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.169 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -107.63 108.77 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.949 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -114.7 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.1 m -127.14 147.74 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.31 111.148 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.91 148.4 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.34 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -78.77 155.92 29.07 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.03 0.443 . . . . 75.22 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.368 0 N-CA-C 108.929 -0.767 . . . . 75.41 108.929 -136.123 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -154.43 117.17 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 75.14 110.814 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.7 t -59.46 -42.55 92.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.51 111.171 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 61.5 -108.74 2.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 72.3 112.472 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.46 -78.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.415 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.18 152.76 20.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 72.1 110.912 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.72 160.48 71.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 73.34 111.092 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -47.6 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 74.04 112.308 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -63.45 119.68 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 73.51 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.946 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.439 -0.264 . . . . 64.5 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 p -147.11 142.85 27.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 31.14 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 54.07 55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.822 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.31 110.91 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.86 74.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 73.12 112.505 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -104.37 150.04 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 74.54 110.906 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -142.9 150.28 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.923 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 p -103.13 152.23 21.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.126 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -106.9 131.62 53.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.86 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -135.6 108.47 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -135.59 118.14 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.4 111.16 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.8 110.25 22.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.104 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -133.34 137.23 45.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 74.31 110.857 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.96 153.27 49.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.549 -1.205 . . . . 73.02 110.851 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.54 154.24 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.75 151.29 25.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.846 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.98 108.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 74.53 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -149.76 139.75 21.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.902 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -107.3 142.22 37.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 73.22 110.954 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.15 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.13 111.099 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.21 111.08 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.34 110.877 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 73.0 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 72.55 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.03 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.868 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 74.31 110.934 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 75.44 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 63.21 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 74.24 111.157 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 75.34 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.924 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 65.1 110.877 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 63.51 112.321 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.33 110.956 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 64.21 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.914 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.55 -51.82 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 74.21 110.905 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -53.66 -42.2 67.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 73.55 110.925 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -50.14 -52.48 34.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 72.31 110.909 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.68 -47.02 87.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.925 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.2 ttm -56.15 -53.37 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.891 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -74.67 156.55 36.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 64.21 110.888 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.16 -45.35 93.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.915 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 125.07 0.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 65.45 112.51 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -146.04 143.35 29.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 70.23 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.4 129.59 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.944 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -165.18 144.58 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 60.54 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 72.5 110.914 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 70.34 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -71.25 146.03 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.52 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -79.41 149.36 31.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.167 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -120.52 106.55 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.918 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -107.73 105.99 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 63.12 110.914 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 m -130.43 145.74 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.03 111.083 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.15 148.8 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.1 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -66.48 158.93 28.3 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.067 0.461 . . . . 75.43 110.837 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.899 -0.778 . . . . 74.33 108.899 -136.17 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -154.6 151.43 28.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 72.32 110.819 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -66.16 137.33 56.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.54 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.65 87.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.98 129.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 74.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -53.64 2.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 75.11 110.851 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -147.21 160.33 39.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 73.24 111.14 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 71.41 112.334 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -101.86 125.25 48.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 72.03 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.886 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.446 -0.261 . . . . 73.23 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.1 p 50.36 49.46 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 75.42 110.866 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -152.71 116.95 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.811 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm -105.9 -53.54 2.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.74 68.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -73.6 110.02 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 73.44 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.96 125.66 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.04 110.944 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -102.59 153.96 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 64.24 111.079 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -163.81 127.97 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.23 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -134.72 124.55 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.25 110.92 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -134.6 110.5 9.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 74.13 111.112 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.08 110.89 22.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 74.34 111.041 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.31 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.871 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -110.18 146.5 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.593 -1.185 . . . . 60.41 110.849 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -94.21 133.12 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 72.13 110.821 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -63.16 121.92 14.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -131.79 112.46 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -149.31 150.07 31.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.856 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -123.85 140.82 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.889 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 72.34 111.107 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 72.44 111.172 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 63.32 110.936 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 74.41 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 73.23 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 75.54 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 75.12 110.946 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 72.15 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 62.23 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 64.04 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 73.42 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 74.04 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 64.42 111.081 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 70.3 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 70.31 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 74.31 110.904 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.05 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -57.98 -52.65 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -65.97 -51.84 54.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 74.54 110.906 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -53.87 -42.15 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 75.33 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -50.54 -51.63 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.898 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -60.15 -47.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 75.5 110.923 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 tpt -55.86 -53.94 50.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.863 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.59 157.96 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 64.43 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.85 -45.45 92.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 74.33 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.04 145.68 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 65.42 112.502 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -106.57 140.02 40.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 63.44 110.945 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -72.57 116.2 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -132.95 153.72 51.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.854 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.799 0.333 . . . . 64.31 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -99.61 122.36 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.2 p -138.76 123.1 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 75.3 111.07 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -125.45 149.09 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 74.45 110.871 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -126.85 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.15 110.907 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 m -141.04 158.05 44.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 71.21 111.083 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.5 164.82 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.136 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -83.38 168.72 16.32 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 116.178 -0.464 . . . . 73.52 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.375 0 N-CA-C 108.915 -0.772 . . . . 75.0 108.915 -136.109 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 p -151.76 158.3 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 71.13 110.852 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -58.59 118.34 5.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 72.54 111.15 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.96 53.07 4.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.44 112.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.54 -54.12 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 73.45 112.45 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -144.68 107.03 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 71.34 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.63 160.48 63.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.537 0.684 . . . . 64.21 111.094 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 158.03 58.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.636 2.224 . . . . 72.13 112.389 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? 54.24 54.8 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.873 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.912 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.52 -0.232 . . . . 75.24 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.9 m -106.03 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 64.44 110.828 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -164.54 143.01 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mmm -95.07 -53.61 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.73 86.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 72.14 112.517 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.01 132.7 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 60.32 110.94 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.12 116.85 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 73.41 110.908 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -69.92 127.1 31.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.173 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.8 108.54 20.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.974 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -133.53 126.54 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.888 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -82.86 131.33 35.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.146 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.19 124.96 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -130.82 141.68 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.9 147.87 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.541 -1.209 . . . . 73.25 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.22 111.65 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 54.44 110.899 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.72 153.21 45.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.885 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 54.15 55.92 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 72.34 110.877 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -105.16 141.86 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 73.12 110.907 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -110.78 143.38 41.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 63.02 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.43 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 72.3 111.117 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 71.01 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 74.24 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 64.32 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 60.25 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 73.05 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.35 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 70.32 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 71.31 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 54.41 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 73.22 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 75.52 112.341 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.872 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.51 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 65.12 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -61.34 -52.83 63.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 73.43 110.871 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -61.87 -51.94 66.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 75.11 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.3 -42.83 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.871 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -50.52 -49.77 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.898 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -65.84 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -53.94 -54.3 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.852 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -80.81 156.28 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 71.3 110.869 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.3 107.77 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.07 157.89 26.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 74.12 112.546 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.33 123.79 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 70.22 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -71.78 142.43 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 71.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.87 154.07 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 75.41 110.885 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.763 0.316 . . . . 65.54 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -119.9 53.11 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -108.82 153.1 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.147 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -163.17 108.86 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -88.84 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.4 m -125.36 155.92 39.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 75.14 111.149 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.12 152.14 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 74.02 111.143 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.63 167.01 19.49 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.03 0.443 . . . . 72.34 110.885 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 108.978 -0.749 . . . . 75.24 108.978 -136.197 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -155.13 120.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 51.11 110.849 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -113.84 146.97 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 75.22 111.147 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 60.57 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.491 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.05 -131.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 72.21 112.462 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.17 108.65 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 75.14 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -159.29 160.2 28.51 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.551 0.691 . . . . 65.01 111.148 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.89 126.24 12.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.642 2.228 . . . . 71.43 112.344 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -86.48 151.63 23.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 70.3 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.898 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 72.54 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.3 t -91.92 -53.6 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 74.2 110.866 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 p80 39.2 42.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 74.02 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttm -87.81 -53.57 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 118.13 0.76 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 71.4 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.87 122.74 27.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 75.44 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -77.04 148.77 35.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 73.23 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -79.89 151.62 30.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -131.17 117.36 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 75.5 110.906 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -134.09 144.05 48.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -106.08 131.43 53.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.4 111.15 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.03 106.96 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.41 111.046 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.84 142.81 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 45.33 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -98.2 136.51 38.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.522 -1.217 . . . . 75.43 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.26 122.93 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.45 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.14 133.63 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -87.8 107.02 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -149.85 149.34 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.804 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -128.0 143.51 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 74.32 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.34 111.142 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 61.24 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.02 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.33 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 73.11 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 73.35 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 74.34 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 73.15 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 62.14 110.914 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 75.12 110.922 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 53.23 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.5 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 65.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 74.33 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 62.54 110.954 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 64.42 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 71.21 110.853 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 75.13 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.926 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 73.31 110.919 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.1 111.074 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 74.44 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.05 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -55.48 -52.72 62.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -69.0 -48.64 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.929 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -52.15 -42.03 63.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -50.39 -51.94 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.866 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -59.95 -47.18 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.905 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.5 ttm -56.17 -53.73 53.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -74.52 154.59 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.918 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -53.35 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 64.45 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.43 143.86 41.46 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 65.11 112.409 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.66 139.0 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 72.34 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -149.75 131.57 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.1 133.05 44.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.879 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.52 110.862 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 74.42 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -91.32 140.12 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.821 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -82.79 152.79 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 61.04 111.145 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.1 149.85 34.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.828 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -104.67 150.2 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.914 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.3 m -139.8 155.59 47.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 70.31 111.153 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.34 156.26 38.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 72.3 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -71.71 166.96 20.88 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.901 -0.777 . . . . 75.23 108.901 -136.154 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.91 116.28 4.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.892 0.377 . . . . 72.33 110.874 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -76.98 114.47 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 73.12 111.113 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.74 55.79 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 74.01 112.475 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.1 62.48 5.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 74.33 112.493 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -149.94 153.38 36.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 74.33 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.62 160.08 66.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.519 0.676 . . . . 73.05 111.184 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 120.34 7.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 74.32 112.354 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.56 -45.27 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 73.34 110.891 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.229 . . . . 73.01 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.8 p -147.45 144.8 28.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 74.41 110.869 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -83.15 -53.92 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp 53.9 57.15 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.855 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.94 -83.12 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.663 -0.779 . . . . 72.04 112.448 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm 57.14 96.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 73.33 110.928 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -121.38 116.82 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 75.24 110.947 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -74.78 139.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 131.33 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.33 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.86 131.19 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.907 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -80.67 124.95 29.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.074 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.11 112.09 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 71.42 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.14 144.38 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 72.13 110.893 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.44 136.88 55.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.538 -1.21 . . . . 71.21 110.887 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -103.38 152.93 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.53 110.803 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -126.62 129.97 49.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.86 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -130.02 -53.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 75.14 110.878 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.74 147.34 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.89 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -118.89 145.99 45.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 71.22 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 64.31 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.55 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.31 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.42 110.882 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.905 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 75.02 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 71.22 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 72.31 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 72.13 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.927 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.883 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.33 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 75.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 74.12 110.891 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 54.22 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 73.45 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -55.77 -52.04 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 75.33 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -66.45 -50.04 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.933 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.66 -42.39 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 75.2 110.92 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.46 -51.91 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.856 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.31 -42.8 87.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 75.32 110.926 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.0 ttm -52.8 -53.49 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.861 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -72.68 147.97 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.911 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.37 122.24 27.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.936 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.77 -69.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 71.03 112.51 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.3 98.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 60.54 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -122.79 136.67 54.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -84.17 146.01 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 75.23 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -77.84 143.83 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.88 143.8 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.44 111.193 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -144.09 122.96 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.947 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.12 104.83 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.5 m -120.55 147.47 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.162 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.93 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 74.13 111.155 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -89.07 169.96 11.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.059 0.457 . . . . 74.32 110.905 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.383 0 N-CA-C 108.892 -0.781 . . . . 74.43 108.892 -136.142 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p -154.75 126.12 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 73.44 110.888 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -68.2 136.77 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 111.132 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.94 -103.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 54.25 112.455 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.32 69.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 72.44 112.48 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.7 114.58 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 75.32 110.886 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.77 160.11 59.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.743 . . . . 73.41 111.074 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 128.68 16.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.791 2.327 . . . . 74.35 112.349 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -72.68 -53.6 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.916 -179.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.557 -0.217 . . . . 70.42 112.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.2 m -104.85 120.41 41.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 74.33 110.894 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -140.49 112.91 7.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.819 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtp -83.62 -53.53 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 75.3 110.854 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.39 74.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 71.34 112.502 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -101.34 109.13 20.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 75.31 110.927 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 137.64 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 74.05 110.91 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -134.19 123.18 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 65.32 111.142 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.13 115.3 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -151.55 121.09 6.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 70.54 110.841 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -132.05 132.74 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 75.45 111.16 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.76 124.88 44.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 73.22 111.127 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -146.21 111.62 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 71.02 110.82 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.03 158.5 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.605 -1.179 . . . . 71.41 110.882 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.24 107.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 71.12 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.4 155.24 29.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 73.43 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -106.52 -51.98 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.22 110.837 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -79.32 138.05 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.12 110.864 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -116.29 151.44 35.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.894 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.32 111.201 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 73.44 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 71.12 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 64.52 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.926 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.9 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 71.11 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.05 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 72.24 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 73.41 110.944 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 72.21 111.147 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 71.21 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 72.12 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 62.32 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -56.83 -51.26 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 72.04 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.55 -51.67 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 73.2 110.854 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.96 -43.88 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.971 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -50.38 -51.84 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 75.2 110.938 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -57.55 -41.89 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.93 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -54.51 -53.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 71.33 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -74.19 153.8 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.35 115.25 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.07 -104.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.806 -0.711 . . . . 71.3 112.516 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.14 151.16 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 74.52 110.888 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -99.67 149.92 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -159.49 111.16 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.913 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.956 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 71.51 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -154.74 139.33 16.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 71.23 110.945 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -109.55 145.6 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 71.35 111.118 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -167.39 152.58 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.86 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 142.74 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.911 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -160.74 153.8 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 52.41 111.154 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.79 167.04 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.33 111.145 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -107.66 166.58 10.58 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.002 0.43 . . . . 75.32 110.914 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.378 0 N-CA-C 108.893 -0.78 . . . . 74.55 108.893 -136.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p -158.83 113.1 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 73.52 110.897 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 29.1 p -109.3 137.84 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 74.2 111.13 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.92 96.07 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 72.41 112.489 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -112.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.529 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -102.75 100.47 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 73.52 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.46 160.36 10.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 73.11 111.095 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 136.82 33.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 74.13 112.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -78.12 -53.76 7.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 74.21 110.891 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 74.14 110.935 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 72.22 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.2 p -164.95 109.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 75.31 110.91 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -155.26 104.84 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 71.32 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm -70.49 172.44 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.873 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.96 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 75.12 112.502 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.55 122.34 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.381 . . . . 75.54 110.929 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -137.38 133.77 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -150.51 117.19 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.22 111.154 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 108.85 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.25 110.936 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -164.53 154.11 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 64.53 110.931 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -136.25 126.67 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.121 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.97 109.3 22.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.086 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 63.45 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.71 135.64 46.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.49 -1.232 . . . . 74.32 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -101.01 138.42 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 74.43 110.888 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -127.15 139.39 53.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 72.04 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.3 54.86 8.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.869 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -91.0 154.96 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -120.29 153.93 35.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.884 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 62.41 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.53 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 70.34 110.948 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 70.12 110.916 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.35 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.185 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.896 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -55.92 -51.81 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.02 -50.42 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 71.25 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -53.21 -44.62 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -50.43 -51.67 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 65.25 110.944 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -57.46 -41.63 80.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.02 110.928 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.7 ttm -53.33 -53.4 51.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -84.56 164.53 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 63.03 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -71.2 -53.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.77 158.91 6.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 73.43 112.514 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.04 151.72 51.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 74.22 110.838 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.91 54.92 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 63.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -90.86 154.58 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 72.45 110.852 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.984 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 62.22 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -82.82 -53.46 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.835 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -86.68 154.45 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 71.45 111.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -134.58 108.47 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.95 120.07 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 73.45 110.939 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.2 m -161.49 141.87 10.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.126 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.56 153.44 39.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 63.32 111.064 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -110.49 152.1 26.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.346 0 N-CA-C 108.907 -0.775 . . . . 75.42 108.907 -136.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -154.48 123.98 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 75.52 110.852 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -71.35 129.46 38.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 73.12 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 -113.02 4.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 75.42 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.14 72.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.747 . . . . 70.41 112.543 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.59 117.66 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 74.02 110.85 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.62 77.28 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 73.31 111.131 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -47.91 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.268 . . . . 73.03 112.349 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -133.97 127.19 31.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.41 110.94 -179.856 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 55.34 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.3 p -147.77 125.69 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 64.44 110.872 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -148.98 109.19 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 74.22 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptm -163.6 149.01 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.41 65.55 2.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 73.32 112.549 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -100.21 123.87 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 75.05 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -157.99 138.91 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.92 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -78.38 127.26 31.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.163 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -108.35 135.89 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.868 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -136.37 132.17 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 74.25 111.184 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.14 106.42 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 71.31 111.141 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.07 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.847 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.32 135.49 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 64.23 110.896 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.36 148.51 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.48 152.67 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -123.45 104.16 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -149.87 155.57 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 60.41 110.878 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -130.1 147.91 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.962 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.075 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.14 111.117 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 74.41 111.136 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 74.45 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.53 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 64.01 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 73.13 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 64.41 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.898 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.918 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 74.4 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 63.24 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.24 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.132 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.915 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 73.04 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 75.41 111.136 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -59.01 -52.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 71.22 110.924 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -64.87 -49.67 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 75.15 110.921 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -53.32 -42.77 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 71.14 110.876 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -50.25 -52.3 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.894 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -59.31 -47.04 86.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 72.42 110.883 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -53.84 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 70.12 110.843 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.93 149.02 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 72.43 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.32 110.89 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.76 -151.15 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.49 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -81.05 149.81 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 72.14 110.943 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.98 107.69 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -107.9 144.87 34.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 64.14 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.42 110.833 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 74.44 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.09 133.05 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 28.5 p -96.83 137.45 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.158 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -119.48 109.04 15.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.917 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -105.66 104.04 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -101.31 145.61 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.23 111.144 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.52 151.57 38.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 73.1 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -73.03 157.65 36.96 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.085 0.469 . . . . 73.42 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.361 0 N-CA-C 108.95 -0.759 . . . . 74.32 108.95 -136.152 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -154.77 147.39 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 71.34 110.883 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -61.35 113.19 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.15 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.12 -131.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 72.43 112.46 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.36 103.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 75.14 112.552 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -154.47 126.19 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 73.24 110.885 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.68 160.39 19.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 74.42 111.128 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.51 68.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 73.3 112.356 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -95.9 112.2 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.939 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 64.54 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -103.52 124.76 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 71.32 110.878 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.5 108.18 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 72.24 110.83 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptp -164.77 122.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 74.54 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.65 59.41 7.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.46 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -93.43 111.68 23.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 74.34 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.39 120.43 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -71.12 149.57 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 74.02 111.12 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -107.14 143.57 35.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.891 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -144.67 151.64 39.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -102.24 137.09 40.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.189 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.22 121.1 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.33 111.071 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.59 125.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.822 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -156.97 142.36 17.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.577 -1.192 . . . . 74.21 110.869 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.74 132.44 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 63.01 110.918 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -134.16 116.34 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -108.06 55.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -102.66 154.87 18.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.876 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -122.35 143.0 49.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.02 110.954 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 73.43 111.061 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 71.52 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 72.3 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 75.14 111.104 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 73.13 110.923 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.42 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 74.41 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 74.13 111.116 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.942 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 70.3 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 72.44 110.864 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 53.24 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.33 111.115 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.42 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.73 -51.6 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -66.76 -51.76 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.901 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.09 -43.98 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.918 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -50.67 -52.02 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -57.35 -40.4 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.34 110.915 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.6 tpp -53.57 -54.83 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.874 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 134.25 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 71.21 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -96.53 -53.52 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.823 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.79 -66.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 75.54 112.466 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.13 125.3 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 74.14 110.898 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -137.05 128.9 29.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.931 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -105.93 130.13 53.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.1 110.974 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 72.11 110.905 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.78 0.324 . . . . 71.02 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.66 149.16 26.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 74.11 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -118.27 110.32 17.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 64.3 111.095 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -92.6 152.18 19.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -108.58 147.34 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 65.12 110.968 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -139.4 153.45 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.12 111.129 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.56 151.25 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 43.35 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.34 161.41 27.22 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.035 0.445 . . . . 72.12 110.82 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.899 -0.778 . . . . 74.31 108.899 -136.19 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -99.03 106.04 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 64.54 110.844 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -108.73 133.69 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 74.21 111.182 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.1 -63.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 70.23 112.54 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.9 -136.25 50.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 73.12 112.473 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -146.47 136.94 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 74.3 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.09 160.19 82.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.484 0.659 . . . . 74.31 111.169 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 151.57 68.78 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.738 2.292 . . . . 71.04 112.276 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -71.48 145.94 48.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.903 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.492 -0.243 . . . . 74.02 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -134.42 127.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 74.5 110.84 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -97.41 151.35 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.797 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp 54.11 54.94 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.94 59.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 72.23 112.494 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -73.42 135.33 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 75.52 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -80.66 139.61 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.83 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -151.04 126.24 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.182 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -131.2 114.07 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.58 111.79 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 73.34 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -131.19 113.51 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 74.01 111.157 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.96 113.35 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.31 111.088 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 65.51 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.08 147.27 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.566 -1.197 . . . . 55.11 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -149.42 147.75 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 53.15 110.874 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.56 152.16 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.23 110.911 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.2 123.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 62.13 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -148.05 153.7 39.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.49 140.22 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.877 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 71.41 111.15 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 75.43 111.119 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 74.54 110.879 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.937 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 62.33 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 75.02 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 62.42 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 75.25 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.3 110.892 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 74.51 110.933 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 63.32 110.942 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.135 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.64 -52.76 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.943 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.09 -51.89 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.907 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.12 -42.01 72.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -50.6 -51.99 43.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 75.52 110.878 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -46.6 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 71.34 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.7 ttm -55.67 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 65.55 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -75.19 153.08 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -97.76 113.16 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.18 121.36 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.682 -0.771 . . . . 71.24 112.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -138.54 140.96 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 72.14 110.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -77.56 -53.46 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.912 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -154.52 148.03 25.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 61.44 110.904 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.877 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.35 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -104.8 129.37 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.854 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.6 139.83 53.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.081 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -121.93 113.41 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.865 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -63.77 106.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.937 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.6 m -122.59 157.15 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 75.11 111.189 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.55 14.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 70.32 111.05 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -66.56 162.78 20.13 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 108.877 -0.786 . . . . 74.35 108.877 -136.087 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -155.52 123.34 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 63.45 110.837 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 151.83 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 61.53 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.59 54.74 0.66 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -61.38 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 74.03 112.481 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.33 128.05 35.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 71.12 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.88 77.2 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.588 0.709 . . . . 60.34 111.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.634 2.223 . . . . 72.52 112.366 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -76.91 131.13 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.929 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 72.14 110.893 -179.854 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 72.53 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.0 m -105.15 153.69 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 72.44 110.87 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -71.69 108.12 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 75.04 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mmm -90.52 -53.68 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.49 105.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 73.43 112.464 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -82.56 153.73 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 72.24 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -128.32 116.72 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -143.51 140.65 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 61.52 111.157 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -164.94 126.63 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 72.45 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -132.44 136.96 47.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 75.31 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 t -135.97 137.47 41.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.448 . . . . 75.03 111.187 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 143.8 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 75.32 111.151 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -159.51 112.61 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 74.51 110.862 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.1 166.52 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.493 -1.231 . . . . 70.44 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.59 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.37 165.01 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -94.0 39.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 75.3 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -100.05 134.99 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.14 110.903 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -114.51 149.96 35.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.936 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 75.2 111.137 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.3 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 73.24 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.24 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 75.33 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.884 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 72.41 110.921 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.13 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.891 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 74.24 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 74.34 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 74.51 110.881 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.856 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 62.22 112.356 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 74.12 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 74.42 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 71.34 110.871 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.122 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.27 -52.53 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -51.45 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.919 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.99 -42.34 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -50.33 -51.68 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 75.21 110.966 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -60.34 -46.99 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.909 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tpt -56.16 -53.55 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.892 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -72.03 153.67 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -121.6 118.41 29.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 62.22 112.417 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -111.32 153.54 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.45 110.875 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -138.67 119.99 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 72.21 110.937 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -163.14 153.75 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 71.24 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.909 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 65.11 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -99.42 153.19 19.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 74.31 110.86 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -59.26 128.16 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.33 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -139.9 153.69 47.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 71.13 110.85 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -68.66 107.58 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -132.01 146.97 52.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 73.23 111.178 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.82 154.62 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 72.51 111.142 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -90.64 172.87 8.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.085 0.469 . . . . 75.42 110.841 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 108.953 -0.758 . . . . 74.13 108.953 -136.121 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.1 p -155.65 113.21 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 63.44 110.864 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -59.89 130.89 48.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 72.0 111.196 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.97 -158.55 50.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 63.41 112.457 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 124.27 7.44 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.43 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -70.07 108.26 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 73.14 110.919 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -162.3 160.07 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 73.54 111.102 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -47.96 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 72.45 112.358 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -72.3 131.4 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.862 -179.843 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.53 -0.228 . . . . 61.05 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.9 m -145.19 134.64 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 64.14 110.874 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -158.24 127.8 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 73.24 110.881 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtp -128.82 110.47 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 75.15 110.931 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.95 -61.05 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 52.35 112.473 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt 56.11 95.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 71.44 110.876 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -118.37 120.0 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.851 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -157.2 129.33 7.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 72.22 111.11 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -79.67 123.05 27.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 74.14 110.874 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -150.72 153.39 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 62.22 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 p -151.74 139.63 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.32 111.105 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 112.66 25.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 72.41 111.069 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -153.75 132.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.92 160.79 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.531 -1.213 . . . . 65.15 110.983 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.94 163.61 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.834 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 54.77 43.55 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.876 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.65 -46.14 86.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -101.53 152.5 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 63.22 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.23 140.97 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.96 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 74.14 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 74.25 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 61.23 110.96 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 75.34 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 62.23 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 65.32 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.35 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 61.33 111.193 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 65.55 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 65.43 110.887 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 75.1 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.976 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 73.01 111.11 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.01 -52.68 63.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 73.32 110.95 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.67 -51.52 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 74.45 110.907 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -55.58 -42.29 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.904 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -50.58 -51.95 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.24 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -59.92 -46.57 88.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -55.4 -53.66 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.945 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -76.11 155.8 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.05 119.16 30.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.44 -132.77 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 53.02 112.517 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -130.5 143.87 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 64.2 110.895 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -164.95 150.82 9.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 65.11 110.866 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -135.55 141.26 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.933 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.942 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.837 0.351 . . . . 72.33 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -106.83 126.79 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -82.36 152.54 26.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 70.14 111.102 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -130.76 161.84 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.06 136.75 58.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 65.11 110.922 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -155.6 155.09 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.14 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.44 148.21 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 61.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 156.91 19.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.882 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.902 -0.777 . . . . 71.13 108.902 -136.12 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 154.06 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 65.22 110.865 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.5 p -59.35 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 73.03 111.106 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.31 136.27 13.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.455 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 129.6 21.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 64.04 112.515 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 123.09 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 73.43 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.34 160.18 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 70.11 111.101 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 71.52 112.399 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -118.06 137.04 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.847 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.932 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.448 -0.261 . . . . 74.42 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.9 t -72.63 130.92 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 62.4 110.864 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -144.48 151.76 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ttp 54.15 54.96 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 63.53 110.853 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.67 69.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -88.8 148.95 23.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 71.15 110.842 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -111.6 111.27 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.966 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 p -138.3 155.74 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 72.22 111.134 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -165.29 107.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 74.25 110.924 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -104.4 140.65 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 p -140.24 131.58 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 64.24 111.117 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.73 129.68 10.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 62.31 111.121 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -162.07 128.74 3.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.892 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.26 135.75 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.553 -1.203 . . . . 73.3 110.789 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -107.82 148.54 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 61.35 110.825 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.67 107.07 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 54.01 110.841 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.27 99.25 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 63.24 110.865 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -150.07 145.88 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.31 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -107.96 133.76 51.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.957 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 73.11 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 74.14 111.194 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 75.03 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 72.33 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 73.33 111.144 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 74.5 110.865 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 44.15 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.41 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 73.25 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 72.43 110.897 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.12 111.1 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.945 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 75.4 110.85 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.04 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 70.12 110.935 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 64.22 111.135 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 55.45 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.52 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.71 -52.81 63.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 70.14 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -69.73 -51.8 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.916 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -52.1 -43.11 63.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.915 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -49.92 -51.56 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 62.34 110.961 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.47 91.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.956 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -54.75 40.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.825 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -73.29 134.59 44.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.98 125.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.873 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.86 132.17 1.51 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.793 -0.718 . . . . 74.25 112.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 56.47 97.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 65.54 110.843 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.85 121.73 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.898 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -74.94 106.8 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.948 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 54.15 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.12 151.81 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.824 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -107.06 108.32 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.135 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -136.84 113.89 10.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.866 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.43 110.81 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.97 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.9 m -118.09 158.26 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.21 111.096 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.81 154.99 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 42.25 111.081 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -77.96 165.81 23.61 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.115 -0.493 . . . . 75.42 110.912 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 108.942 -0.762 . . . . 75.51 108.942 -136.11 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.0 p -155.44 142.89 19.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 70.21 110.9 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 5.6 t -59.4 -42.83 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 74.51 111.111 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.87 108.34 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.22 112.428 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.21 152.23 23.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.514 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -132.56 114.89 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 63.12 110.846 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.32 160.38 26.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 65.25 111.099 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 72.54 112.363 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -109.09 117.7 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 73.53 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 73.12 110.898 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.551 -0.219 . . . . 51.52 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.3 t -99.46 -53.62 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 61.12 110.806 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -84.18 131.26 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 75.33 110.847 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.14 -53.6 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.2 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 73.34 112.529 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.13 150.58 42.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.846 0.355 . . . . 74.24 110.834 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 120.04 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.958 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -130.94 154.77 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 73.34 111.179 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -145.02 149.43 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.936 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -137.06 153.82 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.83 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -125.63 140.31 52.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.131 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.83 110.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.21 111.087 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -158.1 147.21 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 72.34 110.851 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -154.99 154.97 33.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.509 -1.223 . . . . 72.41 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.43 168.61 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 73.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.69 107.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.25 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.42 -52.14 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 43.25 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -78.99 149.67 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.863 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -116.66 149.94 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.928 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.34 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.118 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 63.41 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 72.43 111.19 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.55 110.968 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 73.2 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.128 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 74.33 110.959 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 73.13 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 74.52 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 60.25 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 65.3 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 72.32 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.13 -51.72 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -50.16 64.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.889 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.1 -43.96 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 74.22 110.928 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -50.07 -52.57 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 72.23 110.927 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -56.72 -42.06 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.849 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.7 ttp -53.97 -53.71 49.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 72.41 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -82.29 165.34 20.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.937 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.79 -45.34 90.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 72.53 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.24 158.33 22.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 74.33 112.541 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.42 156.88 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.24 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -59.26 112.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 71.23 110.843 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.901 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.827 0.346 . . . . 74.51 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -155.14 121.47 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 64.5 110.844 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -149.61 142.29 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.24 111.125 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -164.83 119.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.895 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.91 150.56 27.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 74.35 110.901 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.2 m -161.05 142.22 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 73.4 111.178 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.34 147.3 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -101.46 147.67 26.09 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.096 0.474 . . . . 74.3 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.956 -0.757 . . . . 73.11 108.956 -136.164 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -156.39 114.75 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 72.41 110.873 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -60.01 132.19 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 53.14 111.099 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.77 -55.0 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 71.33 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.33 80.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 62.45 112.499 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 tptt 53.94 54.98 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 74.21 110.96 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.74 160.89 0.11 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 72.33 111.001 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 148.91 66.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.619 2.212 . . . . 71.03 112.389 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -134.28 120.86 20.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.55 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.928 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 71.52 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.1 t -154.71 113.02 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 72.23 110.91 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 120.32 16.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 73.45 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -91.61 -53.59 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 65.11 110.823 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.58 72.06 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 72.32 112.525 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -73.96 115.65 13.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 75.31 110.867 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -133.1 113.51 12.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 75.2 110.917 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -158.16 116.62 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 65.21 111.191 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -128.86 122.99 31.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.898 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.69 149.43 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.822 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -165.47 127.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.138 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.05 130.11 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.35 111.083 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.89 111.3 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.91 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 146.44 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.484 -1.235 . . . . 74.42 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.31 153.2 22.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 65.05 110.824 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -81.71 129.51 34.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -124.11 95.99 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.879 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -92.04 143.92 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 75.21 110.835 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.21 145.59 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 72.15 110.956 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.44 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 75.02 111.11 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 75.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.41 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 73.44 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 72.15 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 74.44 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 75.02 110.876 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.42 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 74.13 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 74.43 110.825 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 73.02 110.98 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.178 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 73.22 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -57.04 -52.47 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -51.41 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.875 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.3 -42.28 73.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.53 -43.51 55.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 64.52 110.928 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -74.48 -44.59 50.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 72.54 110.845 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.0 -55.52 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.854 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.74 127.66 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.84 107.75 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.59 157.99 19.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 73.12 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.84 122.99 22.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 73.32 110.886 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.12 153.02 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.4 110.936 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.38 152.3 44.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 75.51 110.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.785 0.326 . . . . 60.23 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -131.57 111.74 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.854 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -149.01 132.21 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 74.02 111.118 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -88.07 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 71.12 110.927 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -119.04 112.31 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.954 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 1.6 m -132.18 153.52 50.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 73.15 111.117 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.63 147.28 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 74.04 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -79.45 142.99 35.38 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.114 0.483 . . . . 73.24 110.819 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.873 -0.788 . . . . 74.54 108.873 -136.133 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -157.18 117.19 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 74.45 110.867 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.9 p -59.44 -53.01 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.21 111.11 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.43 134.55 3.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 64.53 112.523 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.23 128.87 46.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.729 . . . . 70.3 112.46 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -64.64 135.5 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 74.44 110.921 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -130.62 160.36 66.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 62.32 111.067 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 71.34 112.382 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -71.41 133.91 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 74.41 110.906 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.931 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 70.24 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.8 t -102.54 -54.34 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 70.14 110.869 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 55.0 96.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 74.5 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttm -169.36 148.38 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 71.22 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 54.63 5.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 73.11 112.506 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -90.66 155.47 18.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.863 0.363 . . . . 71.5 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -58.27 125.54 23.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.878 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -71.08 157.04 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 75.33 111.104 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -136.79 122.56 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.857 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.28 147.45 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 75.52 110.849 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 p -108.25 140.34 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 65.24 111.231 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.11 105.43 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.12 111.108 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -59.95 119.8 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.83 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -76.35 152.06 36.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.502 -1.227 . . . . 75.11 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -111.68 120.13 40.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -81.31 153.3 27.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 70.51 110.948 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.15 39.78 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.96 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -98.71 119.37 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.12 110.865 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 -102.82 145.08 30.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.856 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 72.33 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.34 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 74.0 111.175 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 75.13 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 71.02 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 72.44 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 73.12 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 62.2 111.158 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 75.21 110.884 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.1 110.932 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 75.13 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.853 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 61.51 110.853 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 74.22 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.31 111.129 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 74.4 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -56.29 -52.79 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.35 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.04 -51.03 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.978 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.3 -41.12 71.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.05 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 72.11 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.62 -48.38 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.926 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.5 mmt -55.58 -55.8 27.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.851 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -112.67 125.43 54.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.19 122.61 27.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 70.41 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.85 135.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 63.22 112.499 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.02 141.65 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 75.13 110.906 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.97 103.18 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t30 60.35 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.912 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 65.03 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -93.58 133.13 37.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.52 110.822 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -125.19 133.77 52.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 74.03 111.154 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.39 108.75 17.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 73.22 110.889 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.96 106.33 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.941 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 2.7 m -131.54 147.09 52.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.164 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.02 124.14 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 60.22 111.107 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -63.57 159.79 18.02 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.839 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.371 0 N-CA-C 108.865 -0.791 . . . . 74.54 108.865 -136.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -154.31 139.73 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 73.53 110.824 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.5 p -125.53 158.13 35.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 73.1 111.169 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.8 156.3 31.87 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.662 -0.78 . . . . 55.21 112.488 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.27 -136.13 16.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 72.24 112.504 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -139.95 138.05 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 74.13 110.872 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -155.51 160.36 30.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.568 0.699 . . . . 72.04 111.104 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 153.57 69.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 60.12 112.35 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -93.57 -53.49 4.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 72.03 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 71.2 110.947 -179.82 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 73.34 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.0 t -72.45 -53.52 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 73.41 110.817 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -62.7 153.51 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 72.53 110.785 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.14 54.96 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.21 61.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 74.23 112.457 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -101.46 152.68 20.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 74.41 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -98.64 139.21 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.894 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -108.34 154.82 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 70.13 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 139.24 45.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 75.21 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -153.53 151.44 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.841 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p -150.69 139.29 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.166 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.73 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.32 111.168 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -111.95 147.54 35.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 74.51 110.862 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.14 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.552 -1.203 . . . . 74.12 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.95 159.61 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.835 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.35 146.21 40.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.884 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.83 104.94 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.926 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -133.07 148.45 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.05 110.857 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -126.34 143.35 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.861 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 72.34 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 71.45 110.907 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.44 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.24 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 73.04 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 73.42 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 73.4 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 60.43 111.128 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 70.12 110.854 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 72.51 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 72.21 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.133 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 75.14 110.905 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 72.5 112.357 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 75.33 110.906 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.44 110.948 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 71.24 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -63.63 -52.68 59.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.68 -51.29 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.903 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -55.18 -42.44 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 75.15 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.15 -51.37 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 70.53 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -61.61 -45.0 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 72.52 110.854 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.2 mtp -53.43 -55.3 26.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 74.22 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -82.99 167.93 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 75.44 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.47 114.93 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.16 -134.4 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 60.02 112.517 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -89.3 117.51 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 74.33 110.81 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -77.35 145.65 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 74.21 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -104.04 147.65 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.844 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 74.25 110.874 179.862 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 70.52 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.89 146.82 49.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.807 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -139.22 146.55 40.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.109 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.91 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.04 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -122.21 106.59 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.949 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.1 m -120.62 157.57 29.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 61.21 111.182 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.4 154.44 14.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 75.31 111.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -75.21 165.19 25.59 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.325 0 N-CA-C 108.939 -0.763 . . . . 73.4 108.939 -136.15 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 t -154.81 109.05 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 74.11 110.893 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -102.72 134.3 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.01 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.57 -155.01 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 75.14 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.03 -73.86 0.89 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 71.45 112.533 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -108.37 -53.62 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 72.5 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.76 160.38 82.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.532 0.682 . . . . 74.43 111.122 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 163.91 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 44.13 112.334 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -132.28 119.9 21.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.881 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.919 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 73.32 110.954 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.2 111.147 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG11 HD22 ' A' ' 39' ' ' LEU . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.53 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.02 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 66' ' ' PHE . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.01 111.145 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 72.4 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.92 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 HG11 ' A' ' 22' ' ' VAL . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 50.41 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.1 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.615 ' O ' HD22 ' A' ' 38' ' ' LEU . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE2' HD23 ' A' ' 38' ' ' LEU . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 63.3 112.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.03 110.867 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.22 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 25' ' ' VAL . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.913 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.955 0.407 . . . . 71.41 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.17 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 53.12 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 35.41 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 64.45 110.953 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 57' ' ' LEU . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 62.32 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 71.05 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 53.2 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.629 ' O ' HD22 ' A' ' 38' ' ' LEU . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.22 111.113 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.2 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' HD12 ' A' ' 39' ' ' LEU . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 64.23 112.374 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 63.54 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 61.2 110.926 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 52.32 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 43.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 40.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 63.42 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' CE ' ' A' ' 42' ' ' LYS . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 54.54 111.142 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG11 HD22 ' A' ' 39' ' ' LEU . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 41.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 38' ' ' LEU . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 50.42 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.935 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 57' ' ' LEU . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 53.02 110.938 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.05 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG23 ' A' ' 21' ' ' VAL . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.35 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 26' ' ' LEU . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.851 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.602 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 39' ' ' LEU . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 61.43 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 64.54 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 63.35 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 40.1 110.852 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.918 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.14 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.929 0.395 . . . . 63.23 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HD2' ' A' ' 42' ' ' LYS . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.41 111.15 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 39' ' ' LEU . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 62' ' ' LEU . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.54 111.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 46' ' ' GLU . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.35 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 70.43 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.868 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.596 ' HB3' HG13 ' A' ' 22' ' ' VAL . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD2' HG23 ' A' ' 21' ' ' VAL . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG3' HD23 ' A' ' 26' ' ' LEU . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 41.35 111.157 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 71.13 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 71.45 110.924 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 64.23 110.877 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 45.24 112.321 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 55.12 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.956 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 51.32 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.2 110.914 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.917 0.389 . . . . 74.44 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 61.42 111.107 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' H ' HD12 ' A' ' 62' ' ' LEU . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.54 111.172 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 40' ' ' LYS . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 62.11 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 54' ' ' GLU . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 51.21 110.946 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HD3' HD21 ' A' ' 26' ' ' LEU . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 52.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 23.24 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 61.14 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 70.23 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 50.45 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB2' HG13 ' A' ' 35' ' ' VAL . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 62.54 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 65.52 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 71.03 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.88 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 74.53 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 61.24 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HE3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 38' ' ' LEU . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' HD3' HG13 ' A' ' 31' ' ' VAL . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.1 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 ' HD3' ' A' ' 29' ' ' ARG . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 65.13 111.117 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 64.31 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 51.34 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 52.13 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 72.21 110.866 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 57' ' ' LEU . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 51.01 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB2' HD12 ' A' ' 39' ' ' LEU . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 72.05 110.868 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 61.15 112.341 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.872 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 63.02 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 52.24 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.871 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 74.32 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.21 111.142 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 60.2 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 40' ' ' LYS . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 55.3 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 53.23 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 55.41 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 55.43 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 43.11 110.922 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 44.2 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.25 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 60.53 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 62.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 72.43 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 61.23 110.919 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 61.31 111.074 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 74.43 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 39' ' ' LEU . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 53.12 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 53.21 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 41.22 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.12 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.882 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB3' HG23 ' A' ' 22' ' ' VAL . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 30.23 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 71.22 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 60.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.31 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.601 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CE2' HD23 ' A' ' 38' ' ' LEU . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.927 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.21 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 73.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 62' ' ' LEU . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 73.15 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.471 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 50.4 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 51.51 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.55 110.904 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.927 0.394 . . . . 75.44 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 39' ' ' LEU . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.201 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 60.45 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 63' ' ' ILE . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD21 ' HE2' ' A' ' 40' ' ' LYS . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 44.14 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 53.33 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 57' ' ' LEU . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.926 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.9 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 62.32 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 51.5 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.641 ' O ' HD22 ' A' ' 38' ' ' LEU . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.656 ' CE2' HD23 ' A' ' 38' ' ' LEU . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 62' ' ' LEU . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 63.35 110.944 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 HG21 ' A' ' 25' ' ' VAL . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.147 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 34.4 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 61.2 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.881 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.966 0.412 . . . . 72.1 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 39' ' ' LEU . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 54.23 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.642 HD11 ' HE2' ' A' ' 40' ' ' LYS . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.15 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 65.31 110.948 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 22' ' ' VAL . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 26' ' ' LEU . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.14 110.916 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 60.34 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 55.14 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.612 ' CE2' HD23 ' A' ' 38' ' ' LEU . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 39' ' ' LEU . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.531 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.896 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.879 0.371 . . . . 72.43 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.075 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 39' ' ' LEU . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 53.3 111.117 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 54.21 111.136 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 38' ' ' LEU . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.22 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 45.21 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 62.11 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 35' ' ' VAL . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 22' ' ' VAL . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.898 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HD3' HD11 ' A' ' 26' ' ' LEU . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.918 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 61.22 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.132 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 60.4 110.918 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 45.04 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' HB3' HD23 ' A' ' 62' ' ' LEU . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 62.4 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 25' ' ' VAL . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.136 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.924 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.965 0.412 . . . . 75.02 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.591 HG21 HD22 ' A' ' 39' ' ' LEU . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 71.35 111.061 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 50.31 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' LEU . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 72.44 111.104 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 38' ' ' LEU . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 72.05 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.31 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 73.12 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 37' ' ' TYR . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 43.21 111.116 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 35' ' ' VAL . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 22' ' ' VAL . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 44.5 110.942 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 53.13 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 65.24 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 26' ' ' LEU . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 55.03 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB2' HD12 ' A' ' 39' ' ' LEU . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 43.14 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.115 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 52.41 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.402 . . . . 74.51 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 42.34 111.15 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD22 ' A' ' 39' ' ' LEU . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 70.22 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 64.33 110.879 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD22 HG11 ' A' ' 22' ' ' VAL . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.937 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 54.11 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 53' ' ' PRO . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 63.01 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 72.34 110.933 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.942 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.45 111.135 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.943 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 73.15 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.554 HG23 ' CE ' ' A' ' 42' ' ' LYS . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 39' ' ' LEU . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 62' ' ' LEU . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 38' ' ' LEU . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.33 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 72.32 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 37' ' ' TYR . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 35' ' ' VAL . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.884 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' GLU . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.921 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.554 ' CE ' HG23 ' A' ' 21' ' ' VAL . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.891 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 73.21 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 73.42 110.881 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.617 ' O ' HD22 ' A' ' 38' ' ' LEU . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.856 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HB2' HD12 ' A' ' 39' ' ' LEU . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 61.22 112.356 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 53' ' ' PRO . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 44.1 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 64.44 110.871 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 62' ' ' LEU . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.22 111.122 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' HG13 ' A' ' 25' ' ' VAL . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 44.03 110.879 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.923 0.392 . . . . 73.24 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 39' ' ' LEU . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.44 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.96 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 54.24 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.34 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.604 ' O ' HD22 ' A' ' 38' ' ' LEU . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 43.3 111.193 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' A' ' 39' ' ' LEU . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.51 110.887 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 73.02 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.976 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 54.31 111.11 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.95 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 75.21 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' HD2' ' A' ' 42' ' ' LYS . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 39' ' ' LEU . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 62' ' ' LEU . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 65.14 111.194 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 HD12 ' A' ' 38' ' ' LEU . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 60.4 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 64.52 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 37' ' ' TYR . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.144 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 35' ' ' VAL . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD12 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 45.0 110.921 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 57' ' ' LEU . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 54.01 110.865 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HD2' HG23 ' A' ' 21' ' ' VAL . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 11.43 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.32 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 72.21 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.532 ' CG ' HD23 ' A' ' 26' ' ' LEU . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 62.53 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.662 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.1 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.659 ' CE2' HD23 ' A' ' 38' ' ' LEU . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.945 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 39' ' ' LEU . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 72.41 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 HD21 ' A' ' 39' ' ' LEU . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 61.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.623 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 51.42 111.135 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 54.54 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 63.5 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.875 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.924 0.392 . . . . 74.23 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 HD22 ' A' ' 39' ' ' LEU . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 60.41 111.118 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 60.23 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 60.52 111.19 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 38' ' ' LEU . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 73.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 35' ' ' VAL . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.43 110.968 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 52' ' ' GLU . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.586 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.128 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.959 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.555 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 73.22 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 39' ' ' LEU . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.55 110.876 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 55.45 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 63.23 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.948 0.404 . . . . 61.45 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 70.31 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 39' ' ' LEU . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 62' ' ' LEU . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 55.14 111.11 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 70.44 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 70.52 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 65.53 110.876 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 22' ' ' VAL . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 63.03 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 63.42 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE2' HD23 ' A' ' 38' ' ' LEU . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 39' ' ' LEU . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 73.41 110.825 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.33 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 62' ' ' LEU . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.51 111.178 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 70.54 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 64.25 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 75.21 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 54.35 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 71.45 111.175 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 40' ' ' LYS . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' A' ' 54' ' ' GLU . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.158 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 52.1 110.884 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 52' ' ' GLU . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 26' ' ' LEU . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 51.53 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 64.03 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 39' ' ' LEU . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' A' ' 35' ' ' VAL . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 39' ' ' LEU . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.853 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 35.12 110.853 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' HD22 ' A' ' 62' ' ' LEU . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.23 111.129 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 73.41 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 52.45 110.867 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.944 0.402 . . . . 73.4 110.861 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 39' ' ' LEU . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 40' ' ' LYS . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.907 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 53.01 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 70.15 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 37' ' ' TYR . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' HG12 ' A' ' 35' ' ' VAL . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.854 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 22' ' ' VAL . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' HD21 ' A' ' 26' ' ' LEU . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.34 111.133 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' CB ' HD12 ' A' ' 39' ' ' LEU . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 54.33 112.357 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 39' ' ' LEU . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 72.03 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' HD23 ' A' ' 62' ' ' LEU . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.45 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 71.1 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.8 m -132.69 152.3 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 72.14 110.881 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -74.69 116.22 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttp -142.95 131.38 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.903 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 89.41 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 75.15 112.556 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.12 153.85 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 54.33 110.905 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -128.76 148.43 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -146.22 131.27 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.15 111.134 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -150.26 109.8 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.863 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -132.88 150.0 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -131.57 136.05 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.5 111.153 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.14 146.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.15 111.086 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -91.25 138.24 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.852 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.66 135.79 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.534 -1.212 . . . . 74.41 110.892 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -164.98 148.39 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.79 111.76 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -145.16 -53.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 70.13 110.881 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.4 tt0 -80.02 153.0 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.23 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -123.14 141.4 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.954 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' B' ' 4' ' ' LYS . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.2 111.147 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG11 HD22 ' A' ' 39' ' ' LEU . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.53 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.02 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 66' ' ' PHE . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.01 111.145 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 72.4 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.92 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 HG11 ' A' ' 22' ' ' VAL . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 50.41 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.1 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.615 ' O ' HD22 ' A' ' 38' ' ' LEU . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE2' HD23 ' A' ' 38' ' ' LEU . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 63.3 112.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.03 110.867 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.22 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 25' ' ' VAL . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -57.82 -51.42 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.913 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.18 -49.9 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.9 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.29 -44.03 67.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -51.42 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.944 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -57.86 -41.59 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.905 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -53.99 -53.82 47.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.869 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -78.19 145.6 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.04 110.847 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -84.21 115.44 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.15 -142.05 4.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 71.05 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.18 150.14 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 75.34 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -89.6 135.48 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.876 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.84 151.74 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.903 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 75.45 111.1 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -129.66 132.8 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.876 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -132.3 -52.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.44 111.126 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 21' ' ' VAL . 13.8 ptpt -58.91 157.55 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.895 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -68.09 119.05 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.4 m -142.55 142.75 32.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.158 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.83 160.84 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 50.11 111.109 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -83.02 173.4 11.8 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.078 0.466 . . . . 64.42 110.817 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.393 0 N-CA-C 108.901 -0.777 . . . . 72.41 108.901 -136.132 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.43 109.07 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 42.02 110.878 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -119.03 154.47 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 51.21 111.146 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.3 72.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 61.23 112.465 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.07 105.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 55.34 112.468 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -75.6 150.8 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 72.01 110.923 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 77.22 2.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 72.33 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.49 30.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 74.33 112.338 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -68.13 -53.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 54.25 110.856 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 63.53 110.946 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.504 -0.238 . . . . 55.12 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -151.1 110.95 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 61.21 110.898 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -141.77 108.9 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 50.33 110.848 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtp -98.49 -53.55 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.36 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 44.04 112.448 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -72.93 108.11 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 75.23 110.902 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.71 145.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 60.31 110.937 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -89.02 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 60.54 111.116 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -139.74 112.7 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.967 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -131.8 107.83 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.1 110.869 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -89.11 109.19 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 65.5 111.132 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.58 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.05 111.102 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 144.89 40.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.29 156.24 43.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.552 -1.204 . . . . 62.34 110.858 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.89 150.89 27.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 62.34 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.55 152.41 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.37 -53.32 3.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.908 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HG2' HG22 ' B' ' 6' ' ' THR . 6.1 tt0 -79.35 146.16 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 74.54 110.846 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -113.08 136.82 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.517 . . . . 71.41 110.889 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG21 ' B' ' 6' ' ' THR . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.17 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 53.12 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 35.41 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 64.45 110.953 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 57' ' ' LEU . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 62.32 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 71.05 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 53.2 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.629 ' O ' HD22 ' A' ' 38' ' ' LEU . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.22 111.113 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.2 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' HD12 ' A' ' 39' ' ' LEU . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 64.23 112.374 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 63.54 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 61.2 110.926 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 52.32 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 43.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 40.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -58.92 -52.67 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -67.04 -51.5 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.876 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -53.97 -42.43 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.906 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -50.35 -51.58 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 75.53 110.918 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -60.24 -47.06 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.941 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -56.42 -53.7 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.915 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -74.49 154.2 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.956 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.62 128.38 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.963 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.79 -122.62 0.7 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 55.32 112.497 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.68 120.04 22.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 74.34 110.912 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -149.71 133.21 16.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.922 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -131.64 134.89 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.893 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 62.21 110.919 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.766 0.317 . . . . 52.04 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 149.42 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.932 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -137.59 151.77 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.33 111.118 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.55 152.33 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.843 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -101.84 122.41 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.3 m -135.76 144.55 45.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.138 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.07 155.65 49.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.143 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -78.97 162.02 26.26 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.024 0.44 . . . . 55.42 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.946 -0.761 . . . . 74.45 108.946 -136.192 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -155.45 140.89 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 74.43 110.868 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -107.25 145.62 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 61.52 111.152 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.94 54.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 65.32 112.532 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.14 -64.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 41.0 112.474 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -79.66 111.21 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 55.55 110.881 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -104.36 160.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.547 0.689 . . . . 73.53 111.139 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.5 Cg_endo -69.75 114.83 3.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.619 2.213 . . . . 71.41 112.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -106.1 140.14 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 62.24 110.867 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.904 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 55.42 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 m -156.45 132.16 9.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 31.43 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -75.49 126.28 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp -138.29 119.83 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 72.12 110.886 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.72 87.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 74.25 112.474 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -99.14 149.35 23.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.32 . . . . 62.32 110.961 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -79.54 150.31 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 70.23 110.945 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -103.07 155.2 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 71.23 111.169 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 117.25 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.936 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -132.2 148.18 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -108.4 135.17 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.076 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 119.86 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 64.15 111.083 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -125.94 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 74.52 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -60.09 152.35 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.531 -1.213 . . . . 64.24 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.44 146.36 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 55.22 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.91 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 71.44 110.829 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.8 tt0 -150.16 144.42 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 73.11 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.77 147.77 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.874 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG22 ' CG2' ' B' ' 6' ' ' THR . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 54.54 111.142 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG11 HD22 ' A' ' 39' ' ' LEU . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 41.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 38' ' ' LEU . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 50.42 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.935 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 57' ' ' LEU . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 53.02 110.938 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.05 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG23 ' A' ' 21' ' ' VAL . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.35 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 26' ' ' LEU . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.851 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.1 m80 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.602 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 39' ' ' LEU . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 61.43 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 64.54 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 63.35 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 40.1 110.852 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.918 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.14 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -57.63 -51.41 69.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.97 -51.75 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.862 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -53.28 -43.45 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 74.42 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -50.38 -51.8 42.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 73.05 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -57.69 -42.42 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 73.52 110.889 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -53.62 51.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 50.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -81.24 159.15 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.853 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.53 138.56 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.44 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.02 -148.72 5.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 54.14 112.499 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.51 154.04 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 71.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -99.73 153.55 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -131.98 154.1 49.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 70.45 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.951 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 64.23 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -105.42 133.96 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.889 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -94.22 133.77 37.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.169 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -107.63 108.77 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.949 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -114.7 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.53 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.1 m -127.14 147.74 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.21 111.148 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.91 148.4 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.34 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -78.77 155.92 29.07 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.03 0.443 . . . . 75.22 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.368 0 N-CA-C 108.929 -0.767 . . . . 75.41 108.929 -136.123 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -154.43 117.17 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 75.14 110.814 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 ' N ' ' B' ' 12' ' ' GLY . 5.7 t -59.46 -42.55 92.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 63.05 111.171 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.411 ' N ' HG23 ' B' ' 11' ' ' THR . . . 61.5 -108.74 2.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 62.12 112.472 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.46 -78.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.415 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.18 152.76 20.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 63.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -78.72 160.48 71.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 73.34 111.092 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.9 Cg_endo -69.81 -47.6 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 72.24 112.308 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -63.45 119.68 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 64.41 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.946 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.439 -0.264 . . . . 64.5 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 p -147.11 142.85 27.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 31.14 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 54.07 55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.822 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.91 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.86 74.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 62.41 112.505 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -104.37 150.04 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 71.43 110.906 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -142.9 150.28 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.923 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 p -103.13 152.23 21.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.126 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -106.9 131.62 53.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.86 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -135.6 108.47 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -135.59 118.14 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.33 111.16 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.8 110.25 22.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.13 111.104 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -133.34 137.23 45.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 74.31 110.857 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.96 153.27 49.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.549 -1.205 . . . . 73.02 110.851 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.54 154.24 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 52.31 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.75 151.29 25.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.846 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.98 108.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HG2' HG22 ' B' ' 6' ' ' THR . 8.9 tt0 -149.76 139.75 21.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -107.3 142.22 37.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.954 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' CG2' ' B' ' 6' ' ' THR . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.41 111.15 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 39' ' ' LEU . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 62' ' ' LEU . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.54 111.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 46' ' ' GLU . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.35 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 70.43 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.868 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.596 ' HB3' HG13 ' A' ' 22' ' ' VAL . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD2' HG23 ' A' ' 21' ' ' VAL . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG3' HD23 ' A' ' 26' ' ' LEU . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 41.35 111.157 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 71.13 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 71.45 110.924 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 64.23 110.877 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 45.24 112.321 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 55.12 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.956 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 51.32 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.2 110.914 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.55 -51.82 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 70.15 110.905 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -53.66 -42.2 67.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 63.35 110.925 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -50.14 -52.48 34.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 62.3 110.909 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.68 -47.02 87.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.925 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.2 ttm -56.15 -53.37 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.891 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -74.67 156.55 36.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 64.21 110.888 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.16 -45.35 93.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.915 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 125.07 0.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 61.35 112.51 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -146.04 143.35 29.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 70.23 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.4 129.59 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.944 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -165.18 144.58 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 43.24 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.01 110.914 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 70.34 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -71.25 146.03 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -79.41 149.36 31.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.167 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -120.52 106.55 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.918 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -107.73 105.99 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 63.12 110.914 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.571 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.0 m -130.43 145.74 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.083 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.15 148.8 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 54.33 111.1 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -66.48 158.93 28.3 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.067 0.461 . . . . 75.43 110.837 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.899 -0.778 . . . . 74.22 108.899 -136.17 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -154.6 151.43 28.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 64.44 110.819 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -66.16 137.33 56.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 65.4 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.65 87.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.98 129.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 74.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -53.64 2.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 62.22 110.851 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -147.21 160.33 39.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 73.24 111.14 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 71.41 112.334 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -101.86 125.25 48.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 63.23 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.886 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.446 -0.261 . . . . 73.23 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.1 p 50.36 49.46 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 75.42 110.866 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -152.71 116.95 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.811 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm -105.9 -53.54 2.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.74 68.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -73.6 110.02 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 65.03 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.96 125.66 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.04 110.944 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -102.59 153.96 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 64.24 111.079 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -163.81 127.97 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -134.72 124.55 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.25 110.92 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -134.6 110.5 9.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.4 111.112 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.08 110.89 22.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.041 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.31 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.871 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -110.18 146.5 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.593 -1.185 . . . . 60.41 110.849 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -94.21 133.12 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.821 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -63.16 121.92 14.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -131.79 112.46 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -149.31 150.07 31.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.856 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CD2' HM22 ' B' ' 9' ' ' M3L . 19.0 m-85 -123.85 140.82 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.889 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 61.42 111.107 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' H ' HD12 ' A' ' 62' ' ' LEU . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.54 111.172 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 40' ' ' LYS . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 62.11 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 54' ' ' GLU . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 51.21 110.946 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HD3' HD21 ' A' ' 26' ' ' LEU . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 52.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 23.24 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 61.14 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 70.23 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 50.45 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB2' HG13 ' A' ' 35' ' ' VAL . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 62.54 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 65.52 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 71.03 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -57.98 -52.65 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -65.97 -51.84 54.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 64.32 110.906 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -53.87 -42.15 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 75.33 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -50.54 -51.63 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.898 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -60.15 -47.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 72.12 110.923 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 tpt -55.86 -53.94 50.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.863 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.59 157.96 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 64.43 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.85 -45.45 92.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.04 145.68 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 65.42 112.502 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -106.57 140.02 40.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 63.44 110.945 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -72.57 116.2 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -132.95 153.72 51.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.854 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.799 0.333 . . . . 63.33 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -99.61 122.36 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.2 p -138.76 123.1 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 64.01 111.07 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -125.45 149.09 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 61.23 110.871 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -126.85 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.907 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.489 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.5 m -141.04 158.05 44.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 64.11 111.083 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.5 164.82 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.136 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -83.38 168.72 16.32 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 116.178 -0.464 . . . . 71.1 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' M3L . . . . . 0.408 HM22 ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 N--CA 1.506 2.375 0 N-CA-C 108.915 -0.772 . . . . 75.0 108.915 -136.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 p -151.76 158.3 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 71.13 110.852 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -58.59 118.34 5.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 44.12 111.15 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.96 53.07 4.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.44 112.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.54 -54.12 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 73.45 112.45 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -144.68 107.03 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 61.24 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -138.63 160.48 63.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.537 0.684 . . . . 52.23 111.094 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.71 158.03 58.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.636 2.224 . . . . 72.13 112.389 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? 54.24 54.8 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.873 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.912 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.52 -0.232 . . . . 75.24 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.9 m -106.03 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 64.33 110.828 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -164.54 143.01 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mmm -95.07 -53.61 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.73 86.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 72.14 112.517 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.01 132.7 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 60.32 110.94 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.12 116.85 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 73.22 110.908 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -69.92 127.1 31.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.173 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.8 108.54 20.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.974 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -133.53 126.54 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.888 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -82.86 131.33 35.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.146 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.19 124.96 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 41.12 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -130.82 141.68 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.9 147.87 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.541 -1.209 . . . . 73.25 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.22 111.65 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 42.13 110.899 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.72 153.21 45.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.885 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 54.15 55.92 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 72.34 110.877 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -105.16 141.86 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.907 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -110.78 143.38 41.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 61.24 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HE3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 38' ' ' LEU . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' HD3' HG13 ' A' ' 31' ' ' VAL . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.1 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 ' HD3' ' A' ' 29' ' ' ARG . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 65.13 111.117 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 64.31 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 51.34 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 52.13 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 72.21 110.866 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 57' ' ' LEU . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 51.01 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB2' HD12 ' A' ' 39' ' ' LEU . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 72.05 110.868 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 61.15 112.341 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.872 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 63.02 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 52.24 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -61.34 -52.83 63.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.871 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -61.87 -51.94 66.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 63.02 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.3 -42.83 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.871 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -50.52 -49.77 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.898 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -65.84 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -53.94 -54.3 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.852 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -80.81 156.28 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 64.25 110.869 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.3 107.77 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.07 157.89 26.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 51.55 112.546 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.33 123.79 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 70.22 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -71.78 142.43 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 65.12 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.87 154.07 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.885 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.763 0.316 . . . . 65.54 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -119.9 53.11 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -108.82 153.1 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.147 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -163.17 108.86 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -88.84 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.4 m -125.36 155.92 39.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 75.14 111.149 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.12 152.14 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.143 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.63 167.01 19.49 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.03 0.443 . . . . 72.34 110.885 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 108.978 -0.749 . . . . 75.21 108.978 -136.197 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -155.13 120.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 50.13 110.849 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -113.84 146.97 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 75.22 111.147 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 60.57 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.491 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.05 -131.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 72.21 112.462 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.17 108.65 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 75.14 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -159.29 160.2 28.51 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.551 0.691 . . . . 44.03 111.148 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 52.8 Cg_endo -69.89 126.24 12.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.642 2.228 . . . . 71.43 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -86.48 151.63 23.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 65.41 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.898 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 72.54 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.3 t -91.92 -53.6 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 55.21 110.866 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 p80 39.2 42.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 74.02 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttm -87.81 -53.57 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 118.13 0.76 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.87 122.74 27.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 74.33 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -77.04 148.77 35.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -79.89 151.62 30.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -131.17 117.36 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 65.05 110.906 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -134.09 144.05 48.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -106.08 131.43 53.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.4 111.15 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.03 106.96 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 111.046 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.84 142.81 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 45.33 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -98.2 136.51 38.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.522 -1.217 . . . . 74.15 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.26 122.93 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.14 133.63 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -87.8 107.02 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -149.85 149.34 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.804 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -128.0 143.51 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 74.32 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' B' ' 6' ' ' THR . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.21 111.142 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 60.2 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 40' ' ' LYS . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 55.3 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 53.23 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 55.41 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 55.43 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 43.11 110.922 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 44.2 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.25 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 60.53 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 62.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 72.43 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 61.23 110.919 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 61.31 111.074 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -55.48 -52.72 62.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -69.0 -48.64 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 61.03 110.929 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -52.15 -42.03 63.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -50.39 -51.94 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.866 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -59.95 -47.18 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.905 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.5 ttm -56.17 -53.73 53.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -74.52 154.59 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 45.54 110.918 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -53.35 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 55.11 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.43 143.86 41.46 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 61.42 112.409 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.66 139.0 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 61.51 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -149.75 131.57 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.32 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.1 133.05 44.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.879 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.52 110.862 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 74.42 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -91.32 140.12 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.821 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -82.79 152.79 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.1 111.145 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.1 149.85 34.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.828 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -104.67 150.2 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.914 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.3 m -139.8 155.59 47.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 70.31 111.153 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.34 156.26 38.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 63.34 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -71.71 166.96 20.88 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -136.154 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.91 116.28 4.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.892 0.377 . . . . 72.33 110.874 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -76.98 114.47 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.113 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.74 55.79 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 74.01 112.475 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.1 62.48 5.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 74.33 112.493 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -149.94 153.38 36.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 74.22 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -129.62 160.08 66.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.519 0.676 . . . . 73.05 111.184 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.1 Cg_endo -69.74 120.34 7.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 74.32 112.354 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.56 -45.27 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 52.5 110.891 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.229 . . . . 73.01 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.8 p -147.45 144.8 28.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 64.31 110.869 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -83.15 -53.92 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp 53.9 57.15 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.855 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.94 -83.12 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.663 -0.779 . . . . 54.43 112.448 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm 57.14 96.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 73.33 110.928 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -121.38 116.82 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.947 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -74.78 139.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 131.33 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.33 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.86 131.19 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.03 110.907 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -80.67 124.95 29.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.074 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.11 112.09 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 70.11 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.14 144.38 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.893 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.44 136.88 55.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.538 -1.21 . . . . 71.21 110.887 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -103.38 152.93 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.803 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -126.62 129.97 49.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.86 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -130.02 -53.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 75.14 110.878 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' B' ' 6' ' ' THR . 6.1 tt0 -91.74 147.34 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.89 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -118.89 145.99 45.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 39' ' ' LEU . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 53.12 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 53.21 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 41.22 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.12 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.882 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB3' HG23 ' A' ' 22' ' ' VAL . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 30.23 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 71.22 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 60.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.31 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.601 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CE2' HD23 ' A' ' 38' ' ' LEU . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.927 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.21 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 73.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 62' ' ' LEU . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 73.15 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.471 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 50.4 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 51.51 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -55.77 -52.04 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.55 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -66.45 -50.04 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.933 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.66 -42.39 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.92 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.46 -51.91 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.856 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.31 -42.8 87.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 71.3 110.926 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.0 ttm -52.8 -53.49 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.861 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -72.68 147.97 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.911 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.37 122.24 27.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.936 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.77 -69.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 71.03 112.51 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.3 98.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 60.54 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -122.79 136.67 54.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -84.17 146.01 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 64.31 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 64.24 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -77.84 143.83 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.88 143.8 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.193 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -144.09 122.96 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.947 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.12 104.83 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 m -120.55 147.47 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.162 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.93 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.155 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.431 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 23.3 ttt180 -89.07 169.96 11.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.059 0.457 . . . . 73.2 110.905 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' M3L . . . . . 0.431 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.507 2.383 0 N-CA-C 108.892 -0.781 . . . . 74.43 108.892 -136.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p -154.75 126.12 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 73.44 110.888 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -68.2 136.77 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 111.132 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.94 -103.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 53.25 112.455 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.32 69.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 72.44 112.48 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.7 114.58 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 72.42 110.886 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -83.77 160.11 59.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.743 . . . . 73.41 111.074 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.2 Cg_endo -69.65 128.68 16.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.791 2.327 . . . . 74.35 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -72.68 -53.6 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.13 110.916 -179.836 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.557 -0.217 . . . . 70.42 112.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.2 m -104.85 120.41 41.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 64.45 110.894 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -140.49 112.91 7.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.819 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtp -83.62 -53.53 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 75.3 110.854 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.39 74.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 71.34 112.502 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -101.34 109.13 20.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 75.31 110.927 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 137.64 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 74.05 110.91 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -134.19 123.18 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 45.52 111.142 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.13 115.3 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -151.55 121.09 6.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 70.54 110.841 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -132.05 132.74 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 64.42 111.16 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.76 124.88 44.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.1 111.127 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -146.21 111.62 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 71.02 110.82 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.03 158.5 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.605 -1.179 . . . . 71.41 110.882 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.24 107.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.4 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.4 155.24 29.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 73.43 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -106.52 -51.98 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.22 110.837 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' B' ' 6' ' ' THR . 15.5 tt0 -79.32 138.05 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.42 110.864 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -116.29 151.44 35.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.894 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 HG23 ' B' ' 6' ' ' THR . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 39' ' ' LEU . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.201 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 60.45 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 63' ' ' ILE . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD21 ' HE2' ' A' ' 40' ' ' LYS . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 44.14 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 53.33 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 57' ' ' LEU . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.926 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.9 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CD1' HM23 ' B' ' 9' ' ' M3L . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 62.32 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 51.5 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.641 ' O ' HD22 ' A' ' 38' ' ' LEU . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.656 ' CE2' HD23 ' A' ' 38' ' ' LEU . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 62' ' ' LEU . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 63.35 110.944 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 HG21 ' A' ' 25' ' ' VAL . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.147 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 34.4 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 61.2 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -56.83 -51.26 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.55 -51.67 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 45.15 110.854 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.96 -43.88 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.971 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -50.38 -51.84 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 54.05 110.938 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -57.55 -41.89 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.93 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -54.51 -53.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 55.23 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -74.19 153.8 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.35 115.25 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.07 -104.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.806 -0.711 . . . . 61.1 112.516 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.14 151.16 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 74.52 110.888 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -99.67 149.92 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -159.49 111.16 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.913 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.956 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 71.2 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -154.74 139.33 16.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 53.34 110.945 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -109.55 145.6 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 54.03 111.118 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -167.39 152.58 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.86 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 142.74 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.911 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 21' ' ' VAL . 1.8 m -160.74 153.8 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 52.41 111.154 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.79 167.04 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.31 111.145 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -107.66 166.58 10.58 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.002 0.43 . . . . 75.32 110.914 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' M3L . . . . . 0.415 HM23 ' CD1' ' A' ' 41' ' ' TRP . . . . . . . . 0 N--CA 1.507 2.378 0 N-CA-C 108.893 -0.78 . . . . 74.55 108.893 -136.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p -158.83 113.1 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 73.52 110.897 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 29.1 p -109.3 137.84 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 64.12 111.13 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.92 96.07 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 72.41 112.489 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -112.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.529 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -102.75 100.47 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 64.45 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -167.46 160.36 10.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 50.33 111.095 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.1 Cg_endo -69.76 136.82 33.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 74.13 112.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -78.12 -53.76 7.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.891 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 62.42 110.935 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 63.31 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.2 p -164.95 109.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 75.31 110.91 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -155.26 104.84 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 71.32 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm -70.49 172.44 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.873 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.96 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 75.1 112.502 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.55 122.34 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.381 . . . . 75.12 110.929 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -137.38 133.77 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -150.51 117.19 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.22 111.154 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 108.85 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.25 110.936 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -164.53 154.11 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 53.22 110.931 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -136.25 126.67 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.121 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.97 109.3 22.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.086 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 63.45 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.71 135.64 46.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.49 -1.232 . . . . 55.33 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -101.01 138.42 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 74.43 110.888 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -127.15 139.39 53.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 62.4 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.3 54.86 8.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.869 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.599 ' HG2' HG22 ' B' ' 6' ' ' THR . 18.0 tt0 -91.0 154.96 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' CD1' HM22 ' B' ' 9' ' ' M3L . 21.1 m-85 -120.29 153.93 35.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.884 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 39' ' ' LEU . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 54.23 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.642 HD11 ' HE2' ' A' ' 40' ' ' LYS . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.15 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 65.31 110.948 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 22' ' ' VAL . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 26' ' ' LEU . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.14 110.916 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 60.34 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 55.14 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.612 ' CE2' HD23 ' A' ' 38' ' ' LEU . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 39' ' ' LEU . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.531 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.896 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -55.92 -51.81 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.02 -50.42 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 71.25 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -53.21 -44.62 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -50.43 -51.67 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 65.25 110.944 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -57.46 -41.63 80.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.02 110.928 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.7 ttm -53.33 -53.4 51.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 61.3 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -84.56 164.53 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 63.03 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -71.2 -53.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.77 158.91 6.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 73.43 112.514 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.04 151.72 51.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 74.22 110.838 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.91 54.92 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 63.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -90.86 154.58 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 72.45 110.852 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.984 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 62.22 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -82.82 -53.46 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -86.68 154.45 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 53.33 111.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -134.58 108.47 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.95 120.07 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 73.45 110.939 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.599 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.2 m -161.49 141.87 10.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.126 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.56 153.44 39.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.24 111.064 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 44.9 ttp85 -110.49 152.1 26.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.886 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' M3L . . . . . 0.496 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.506 2.346 0 N-CA-C 108.907 -0.775 . . . . 72.24 108.907 -136.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -154.48 123.98 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 73.34 110.852 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -71.35 129.46 38.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 61.33 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 -113.02 4.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 42.14 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.14 72.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.747 . . . . 70.41 112.543 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.59 117.66 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 73.3 110.85 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.62 77.28 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 73.31 111.131 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -47.91 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.268 . . . . 73.03 112.349 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -133.97 127.19 31.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 64.31 110.94 -179.856 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 32.33 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.3 p -147.77 125.69 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 52.11 110.872 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -148.98 109.19 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 73.33 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptm -163.6 149.01 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 75.03 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.41 65.55 2.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 73.32 112.549 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -100.21 123.87 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 63.23 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -157.99 138.91 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.92 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -78.38 127.26 31.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.163 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -108.35 135.89 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.868 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -136.37 132.17 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.55 111.184 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.14 106.42 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 64.51 111.141 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.07 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.847 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.32 135.49 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 63.42 110.896 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.36 148.51 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 51.54 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.48 152.67 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -123.45 104.16 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' B' ' 6' ' ' THR . 14.9 tt0 -149.87 155.57 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 60.34 110.878 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -130.1 147.91 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.962 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.075 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 39' ' ' LEU . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 53.3 111.117 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 54.21 111.136 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 38' ' ' LEU . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.22 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 45.21 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 62.11 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 35' ' ' VAL . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 22' ' ' VAL . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.898 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HD3' HD11 ' A' ' 26' ' ' LEU . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.918 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 61.22 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.132 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 60.4 110.918 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 45.04 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' HB3' HD23 ' A' ' 62' ' ' LEU . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 62.4 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 25' ' ' VAL . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.136 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -59.01 -52.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.924 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -64.87 -49.67 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 34.52 110.921 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -53.32 -42.77 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 71.14 110.876 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -50.25 -52.3 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.894 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -59.31 -47.04 86.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.883 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -53.84 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.843 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.93 149.02 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 52.31 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.32 110.89 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.76 -151.15 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.49 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -81.05 149.81 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 52.43 110.943 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.98 107.69 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -107.9 144.87 34.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 64.14 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.833 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 74.44 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.09 133.05 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 28.5 p -96.83 137.45 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.158 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.4 ' HE3' HG11 ' A' ' 21' ' ' VAL . 41.9 tttt -119.48 109.04 15.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.917 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -105.66 104.04 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.1 m -101.31 145.61 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.23 111.144 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.52 151.57 38.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -73.03 157.65 36.96 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.085 0.469 . . . . 73.42 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.361 0 N-CA-C 108.95 -0.759 . . . . 74.32 108.95 -136.152 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -154.77 147.39 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 71.34 110.883 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -61.35 113.19 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.15 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.12 -131.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 72.43 112.46 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.36 103.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 75.14 112.552 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -154.47 126.19 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 63.33 110.885 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -162.68 160.39 19.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 61.1 111.128 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 153.51 68.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 73.3 112.356 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -95.9 112.2 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 65.0 110.939 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 61.24 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -103.52 124.76 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 62.01 110.878 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.5 108.18 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 70.45 110.83 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptp -164.77 122.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 70.41 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.65 59.41 7.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.46 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -93.43 111.68 23.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 73.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.39 120.43 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -71.12 149.57 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.12 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -107.14 143.57 35.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.891 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -144.67 151.64 39.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -102.24 137.09 40.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 62.32 111.189 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.22 121.1 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.071 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.59 125.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.822 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -156.97 142.36 17.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.577 -1.192 . . . . 74.21 110.869 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.74 132.44 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 63.01 110.918 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -134.16 116.34 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -108.06 55.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -102.66 154.87 18.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.876 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -122.35 143.0 49.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.02 110.954 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG22 HG21 ' B' ' 6' ' ' THR . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.591 HG21 HD22 ' A' ' 39' ' ' LEU . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 71.35 111.061 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 50.31 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' LEU . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 72.44 111.104 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 38' ' ' LEU . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 72.05 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.31 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 73.12 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 37' ' ' TYR . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 43.21 111.116 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 35' ' ' VAL . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 22' ' ' VAL . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 44.5 110.942 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 53.13 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 65.24 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 26' ' ' LEU . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 55.03 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB2' HD12 ' A' ' 39' ' ' LEU . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 43.14 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.115 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 52.41 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.73 -51.6 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -66.76 -51.76 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.901 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.09 -43.98 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.918 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -50.67 -52.02 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -57.35 -40.4 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.915 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.6 tpp -53.57 -54.83 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.874 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 134.25 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -96.53 -53.52 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.823 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.79 -66.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 75.54 112.466 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.13 125.3 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 74.14 110.898 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -137.05 128.9 29.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.931 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -105.93 130.13 53.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.974 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.905 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.78 0.324 . . . . 44.44 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.66 149.16 26.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -118.27 110.32 17.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 64.24 111.095 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -92.6 152.18 19.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -108.58 147.34 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.968 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.406 HG21 HG22 ' A' ' 21' ' ' VAL . 3.9 m -139.4 153.45 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.129 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.56 151.25 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 43.35 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.34 161.41 27.22 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.035 0.445 . . . . 72.12 110.82 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.899 -0.778 . . . . 74.24 108.899 -136.19 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -99.03 106.04 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 64.54 110.844 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -108.73 133.69 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 74.21 111.182 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.1 -63.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 70.23 112.54 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.9 -136.25 50.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 63.21 112.473 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -146.47 136.94 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 72.1 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -74.09 160.19 82.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.484 0.659 . . . . 73.31 111.169 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.6 Cg_endo -69.82 151.57 68.78 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.738 2.292 . . . . 62.24 112.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -71.48 145.94 48.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.903 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.492 -0.243 . . . . 71.02 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -134.42 127.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 74.5 110.84 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -97.41 151.35 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.797 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp 54.11 54.94 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.94 59.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 72.23 112.494 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -73.42 135.33 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 75.52 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -80.66 139.61 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.83 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -151.04 126.24 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.182 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -131.2 114.07 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 42.51 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.58 111.79 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.42 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -131.19 113.51 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 55.3 111.157 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.96 113.35 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.31 111.088 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 65.51 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.08 147.27 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.566 -1.197 . . . . 53.32 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -149.42 147.75 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 53.15 110.874 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.56 152.16 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.911 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.2 123.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 55.33 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -148.05 153.7 39.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.49 140.22 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.877 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 42.34 111.15 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD22 ' A' ' 39' ' ' LEU . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 70.22 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 64.33 110.879 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD22 HG11 ' A' ' 22' ' ' VAL . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.937 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 54.11 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 53' ' ' PRO . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 63.01 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 72.34 110.933 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.942 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.45 111.135 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.64 -52.76 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.943 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.09 -51.89 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.907 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.12 -42.01 72.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -50.6 -51.99 43.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 73.04 110.878 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -46.6 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 53.1 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.7 ttm -55.67 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 40.5 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -75.19 153.08 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -97.76 113.16 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.18 121.36 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.682 -0.771 . . . . 71.24 112.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -138.54 140.96 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 72.14 110.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -77.56 -53.46 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.912 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -154.52 148.03 25.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 52.42 110.904 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.877 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.35 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -104.8 129.37 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.854 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.6 139.83 53.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.081 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -121.93 113.41 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 63.4 110.865 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -63.77 106.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.937 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.6 m -122.59 157.15 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 60.04 111.189 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.55 14.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 60.53 111.05 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -66.56 162.78 20.13 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 108.877 -0.786 . . . . 74.35 108.877 -136.087 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -155.52 123.34 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 63.45 110.837 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 151.83 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 60.23 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.59 54.74 0.66 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -61.38 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 72.32 112.481 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.33 128.05 35.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 71.12 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.88 77.2 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.588 0.709 . . . . 60.34 111.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.634 2.223 . . . . 72.1 112.366 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -76.91 131.13 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.929 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.45 110.893 -179.854 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 72.53 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.0 m -105.15 153.69 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 72.44 110.87 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -71.69 108.12 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 75.04 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mmm -90.52 -53.68 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.49 105.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 73.43 112.464 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -82.56 153.73 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 65.3 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -128.32 116.72 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -143.51 140.65 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.43 111.157 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -164.94 126.63 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 61.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -132.44 136.96 47.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 75.31 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 t -135.97 137.47 41.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.448 . . . . 51.25 111.187 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 143.8 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 75.21 111.151 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -159.51 112.61 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.862 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.1 166.52 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.493 -1.231 . . . . 64.45 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.59 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.37 165.01 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -94.0 39.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 70.24 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HG2' HG22 ' B' ' 6' ' ' THR . 12.7 tt0 -100.05 134.99 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.903 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -114.51 149.96 35.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.936 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.554 HG23 ' CE ' ' A' ' 42' ' ' LYS . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 39' ' ' LEU . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 62' ' ' LEU . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 38' ' ' LEU . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.33 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 72.32 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 37' ' ' TYR . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 35' ' ' VAL . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.884 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' GLU . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.921 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.554 ' CE ' HG23 ' A' ' 21' ' ' VAL . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.891 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 73.21 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 73.42 110.881 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.617 ' O ' HD22 ' A' ' 38' ' ' LEU . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.856 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HB2' HD12 ' A' ' 39' ' ' LEU . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 61.22 112.356 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 53' ' ' PRO . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 44.1 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 64.44 110.871 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 62' ' ' LEU . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.22 111.122 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' HG13 ' A' ' 25' ' ' VAL . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 44.03 110.879 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.27 -52.53 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -51.45 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.919 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.99 -42.34 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -50.33 -51.68 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 75.21 110.966 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -60.34 -46.99 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.909 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tpt -56.16 -53.55 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.892 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -72.03 153.67 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -121.6 118.41 29.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 62.22 112.417 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -111.32 153.54 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.45 110.875 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -138.67 119.99 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 61.21 110.937 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -163.14 153.75 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 72.2 110.909 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 45.13 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -99.42 153.19 19.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 74.31 110.86 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -59.26 128.16 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -139.9 153.69 47.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 53.43 110.85 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -68.66 107.58 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.461 ' CG2' HG22 ' A' ' 21' ' ' VAL . 2.9 m -132.01 146.97 52.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 62.43 111.178 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.82 154.62 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 72.51 111.142 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -90.64 172.87 8.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.085 0.469 . . . . 74.11 110.841 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 108.953 -0.758 . . . . 62.12 108.953 -136.121 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.1 p -155.65 113.21 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 63.44 110.864 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -59.89 130.89 48.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 60.24 111.196 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.97 -158.55 50.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 62.34 112.457 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 124.27 7.44 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.43 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -70.07 108.26 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 71.53 110.919 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -162.3 160.07 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 73.54 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.4 Cg_endo -69.72 -47.96 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 54.24 112.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -72.3 131.4 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.862 -179.843 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.53 -0.228 . . . . 61.05 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.9 m -145.19 134.64 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 64.14 110.874 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -158.24 127.8 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 73.24 110.881 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtp -128.82 110.47 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.931 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.95 -61.05 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 52.35 112.473 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt 56.11 95.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 64.42 110.876 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -118.37 120.0 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.851 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -157.2 129.33 7.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.11 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -79.67 123.05 27.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.874 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -150.72 153.39 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 53.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 p -151.74 139.63 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.32 111.105 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 112.66 25.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 71.31 111.069 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -153.75 132.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.92 160.79 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.531 -1.213 . . . . 65.15 110.983 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.94 163.61 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.834 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 54.77 43.55 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.876 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.65 -46.14 86.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -101.53 152.5 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 63.22 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.23 140.97 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.96 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 HG21 ' B' ' 6' ' ' THR . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 39' ' ' LEU . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.44 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.96 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 54.24 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.34 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.604 ' O ' HD22 ' A' ' 38' ' ' LEU . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 43.3 111.193 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' A' ' 39' ' ' LEU . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.483 HD21 HG23 ' B' ' 11' ' ' THR . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.51 110.887 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 73.02 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.976 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 54.31 111.11 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.01 -52.68 63.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.95 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.67 -51.52 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.907 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -55.58 -42.29 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.904 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -50.58 -51.95 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.41 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -59.92 -46.57 88.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 70.42 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -55.4 -53.66 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.945 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -76.11 155.8 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.05 119.16 30.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.44 -132.77 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 53.02 112.517 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -130.5 143.87 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 64.2 110.895 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -164.95 150.82 9.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 51.02 110.866 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -135.55 141.26 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.933 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.942 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.837 0.351 . . . . 72.33 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -106.83 126.79 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -82.36 152.54 26.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 70.14 111.102 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -130.76 161.84 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.06 136.75 58.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 63.14 110.922 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.442 HG21 HG22 ' A' ' 21' ' ' VAL . 4.1 m -155.6 155.09 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.14 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.44 148.21 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 61.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 156.91 19.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.882 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.902 -0.777 . . . . 70.01 108.902 -136.12 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 154.06 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 65.22 110.865 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 56' ' ' ASN . 38.5 p -59.35 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 64.13 111.106 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.31 136.27 13.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.455 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 129.6 21.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 64.04 112.515 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 123.09 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 73.43 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -95.34 160.18 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 70.11 111.101 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.9 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 61.34 112.399 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -118.06 137.04 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.847 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.932 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.448 -0.261 . . . . 62.11 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.9 t -72.63 130.92 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 62.4 110.864 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -144.48 151.76 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ttp 54.15 54.96 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 63.53 110.853 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.67 69.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -88.8 148.95 23.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 55.34 110.842 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -111.6 111.27 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.966 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 p -138.3 155.74 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 72.22 111.134 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -165.29 107.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.53 110.924 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -104.4 140.65 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 p -140.24 131.58 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 64.24 111.117 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.73 129.68 10.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 60.12 111.121 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -162.07 128.74 3.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 70.32 110.892 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.26 135.75 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.553 -1.203 . . . . 73.3 110.789 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -107.82 148.54 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 61.35 110.825 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.67 107.07 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 53.41 110.841 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.27 99.25 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 63.24 110.865 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -150.07 145.88 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.31 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -107.96 133.76 51.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.957 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' B' ' 6' ' ' THR . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 39' ' ' LEU . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 62' ' ' LEU . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 65.14 111.194 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 HD12 ' A' ' 38' ' ' LEU . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 60.4 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 64.52 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 37' ' ' TYR . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.144 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 35' ' ' VAL . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD12 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 45.0 110.921 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 57' ' ' LEU . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 54.01 110.865 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HD2' HG23 ' A' ' 21' ' ' VAL . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 11.43 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.32 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 72.21 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' CG ' HD23 ' A' ' 26' ' ' LEU . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 62.53 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.662 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.1 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.659 ' CE2' HD23 ' A' ' 38' ' ' LEU . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.945 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 39' ' ' LEU . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 72.41 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 HD21 ' A' ' 39' ' ' LEU . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 61.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.623 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 51.42 111.135 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 54.54 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 63.5 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.71 -52.81 63.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -69.73 -51.8 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.916 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -52.1 -43.11 63.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.915 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -49.92 -51.56 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 62.34 110.961 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.47 91.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.05 110.956 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -54.75 40.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.825 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -73.29 134.59 44.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.98 125.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.873 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.86 132.17 1.51 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.793 -0.718 . . . . 74.25 112.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 56.47 97.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 63.21 110.843 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.85 121.73 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.898 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -74.94 106.8 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.948 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 54.15 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.12 151.81 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.824 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -107.06 108.32 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.135 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -136.84 113.89 10.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.866 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.43 110.81 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.97 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.9 m -118.09 158.26 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.21 111.096 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.81 154.99 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 41.43 111.081 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 27.8 ttt180 -77.96 165.81 23.61 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.115 -0.493 . . . . 74.21 110.912 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' M3L . . . . . 0.421 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 108.942 -0.762 . . . . 75.51 108.942 -136.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.0 p -155.44 142.89 19.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 70.21 110.9 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.418 HG23 ' N ' ' B' ' 12' ' ' GLY . 5.6 t -59.4 -42.83 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 74.51 111.111 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.418 ' N ' HG23 ' B' ' 11' ' ' THR . . . -114.87 108.34 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.22 112.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.21 152.23 23.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.514 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -132.56 114.89 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 63.12 110.846 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -106.32 160.38 26.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 65.25 111.099 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.72 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 72.54 112.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -109.09 117.7 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 61.54 110.898 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.551 -0.219 . . . . 51.52 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.3 t -99.46 -53.62 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 61.12 110.806 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -84.18 131.26 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.54 110.847 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.14 -53.6 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.2 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 41.5 112.529 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.13 150.58 42.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.846 0.355 . . . . 72.24 110.834 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 120.04 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.958 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -130.94 154.77 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 50.24 111.179 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -145.02 149.43 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.936 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -137.06 153.82 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.83 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -125.63 140.31 52.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 72.51 111.131 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.83 110.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 51.11 111.087 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -158.1 147.21 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 53.2 110.851 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -154.99 154.97 33.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.509 -1.223 . . . . 64.33 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.43 168.61 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 64.32 110.907 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.69 107.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.42 -52.14 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 43.25 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.622 ' HG2' HG22 ' B' ' 6' ' ' THR . 22.8 tt0 -78.99 149.67 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -116.66 149.94 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.928 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 HD22 ' A' ' 39' ' ' LEU . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 60.41 111.118 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 60.23 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 60.52 111.19 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 38' ' ' LEU . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 73.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 35' ' ' VAL . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.43 110.968 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 52' ' ' GLU . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.586 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.128 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.959 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.555 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 73.22 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 39' ' ' LEU . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.55 110.876 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 55.45 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 63.23 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.13 -51.72 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -50.16 64.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.889 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.1 -43.96 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 72.44 110.928 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -50.07 -52.57 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 63.44 110.927 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -56.72 -42.06 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.849 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.7 ttp -53.97 -53.71 49.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 72.41 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -82.29 165.34 20.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.937 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.79 -45.34 90.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 72.24 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.24 158.33 22.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 53.22 112.541 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.42 156.88 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 52.24 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -59.26 112.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.843 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.901 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.827 0.346 . . . . 74.51 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -155.14 121.47 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 64.5 110.844 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -149.61 142.29 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 40.45 111.125 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -164.83 119.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.895 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.91 150.56 27.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.901 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.622 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.2 m -161.05 142.22 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 54.22 111.178 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.34 147.3 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -101.46 147.67 26.09 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.096 0.474 . . . . 74.3 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.956 -0.757 . . . . 73.11 108.956 -136.164 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -156.39 114.75 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 65.33 110.873 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -60.01 132.19 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 51.15 111.099 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.77 -55.0 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 71.33 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.33 80.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 54.32 112.499 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 tptt 53.94 54.98 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 71.32 110.96 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . 61.74 160.89 0.11 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 72.33 111.001 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.4 Cg_endo -69.76 148.91 66.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.619 2.212 . . . . 71.03 112.389 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -134.28 120.86 20.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.04 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 64.44 110.928 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 71.52 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.1 t -154.71 113.02 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 65.04 110.91 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 120.32 16.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -91.61 -53.59 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 65.11 110.823 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.58 72.06 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 23.42 112.525 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -73.96 115.65 13.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 75.31 110.867 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -133.1 113.51 12.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 70.45 110.917 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -158.16 116.62 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.191 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -128.86 122.99 31.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.898 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.69 149.43 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.822 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -165.47 127.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.138 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.05 130.11 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.35 111.083 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.89 111.3 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.91 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 146.44 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.484 -1.235 . . . . 70.11 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.31 153.2 22.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 62.34 110.824 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -81.71 129.51 34.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -124.11 95.99 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.1 tt0 -92.04 143.92 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.835 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.21 145.59 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 61.45 110.956 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 70.31 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 39' ' ' LEU . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 62' ' ' LEU . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 55.14 111.11 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 70.44 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 70.52 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 65.53 110.876 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 22' ' ' VAL . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 63.03 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 63.42 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE2' HD23 ' A' ' 38' ' ' LEU . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 39' ' ' LEU . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 73.41 110.825 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.33 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 62' ' ' LEU . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.51 111.178 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 70.54 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 64.25 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -57.04 -52.47 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -51.41 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.875 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.3 -42.28 73.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.53 -43.51 55.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 64.52 110.928 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -74.48 -44.59 50.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 72.54 110.845 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.0 -55.52 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.74 127.66 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.84 107.75 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.59 157.99 19.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 53.03 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.84 122.99 22.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 73.32 110.886 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.12 153.02 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.4 110.936 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.38 152.3 44.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 71.05 110.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.785 0.326 . . . . 51.54 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -131.57 111.74 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 62.44 110.854 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -149.01 132.21 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.118 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -88.07 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.927 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -119.04 112.31 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.954 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 19' ' ' GLU . 1.6 m -132.18 153.52 50.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.117 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.63 147.28 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -79.45 142.99 35.38 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.114 0.483 . . . . 73.24 110.819 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.873 -0.788 . . . . 74.21 108.873 -136.133 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -157.18 117.19 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 74.45 110.867 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.9 p -59.44 -53.01 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.21 111.11 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.43 134.55 3.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 64.53 112.523 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.23 128.87 46.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.729 . . . . 54.31 112.46 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -64.64 135.5 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 72.42 110.921 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -130.62 160.36 66.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 62.32 111.067 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.4 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 60.42 112.382 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -71.41 133.91 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.906 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 61.42 110.931 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 40.23 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.8 t -102.54 -54.34 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 55.02 110.869 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 55.0 96.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 74.5 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttm -169.36 148.38 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 41.34 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 54.63 5.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.506 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -90.66 155.47 18.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.863 0.363 . . . . 65.23 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -58.27 125.54 23.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.878 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -71.08 157.04 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 75.33 111.104 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -136.79 122.56 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.857 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.28 147.45 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.849 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 p -108.25 140.34 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 65.24 111.231 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.11 105.43 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 54.12 111.108 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -59.95 119.8 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.83 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -76.35 152.06 36.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.502 -1.227 . . . . 63.32 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -111.68 120.13 40.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -81.31 153.3 27.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 70.51 110.948 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.15 39.78 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.96 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' B' ' 6' ' ' THR . 11.1 tt0 -98.71 119.37 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.12 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 -102.82 145.08 30.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.856 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 54.35 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 71.45 111.175 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 40' ' ' LYS . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' A' ' 54' ' ' GLU . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.158 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 52.1 110.884 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 52' ' ' GLU . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 26' ' ' LEU . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 51.53 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 64.03 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 39' ' ' LEU . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' A' ' 35' ' ' VAL . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 39' ' ' LEU . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.853 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 35.12 110.853 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' HD22 ' A' ' 62' ' ' LEU . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.23 111.129 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 73.41 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -56.29 -52.79 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 52.45 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.04 -51.03 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.978 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.3 -41.12 71.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.05 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.62 -48.38 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.926 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.5 mmt -55.58 -55.8 27.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.851 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -112.67 125.43 54.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 61.55 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.19 122.61 27.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 70.41 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.85 135.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 63.22 112.499 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.02 141.65 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 75.13 110.906 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.97 103.18 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t30 60.35 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 52.42 110.912 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 65.03 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -93.58 133.13 37.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.822 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -125.19 133.77 52.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.154 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.39 108.75 17.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.889 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.96 106.33 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.941 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.7 m -131.54 147.09 52.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 60.23 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.02 124.14 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 41.3 111.107 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -63.57 159.79 18.02 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.232 -0.44 . . . . 52.1 110.839 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.371 0 N-CA-C 108.865 -0.791 . . . . 74.54 108.865 -136.164 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -154.31 139.73 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 72.45 110.824 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.5 p -125.53 158.13 35.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 73.1 111.169 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.8 156.3 31.87 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.662 -0.78 . . . . 34.34 112.488 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.27 -136.13 16.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 72.24 112.504 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -139.95 138.05 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 60.15 110.872 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -155.51 160.36 30.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.568 0.699 . . . . 72.04 111.104 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.7 153.57 69.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 60.12 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -93.57 -53.49 4.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 64.54 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 53.32 110.947 -179.82 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 52.4 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.0 t -72.45 -53.52 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 73.41 110.817 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -62.7 153.51 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 72.53 110.785 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.14 54.96 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.21 61.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 74.23 112.457 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -101.46 152.68 20.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 70.42 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -98.64 139.21 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.894 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -108.34 154.82 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 70.13 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 139.24 45.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -153.53 151.44 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.841 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p -150.69 139.29 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.166 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.73 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.32 111.168 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -111.95 147.54 35.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 74.51 110.862 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.14 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.552 -1.203 . . . . 74.12 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.95 159.61 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.835 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.35 146.21 40.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.884 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.83 104.94 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.926 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -133.07 148.45 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.857 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -126.34 143.35 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.861 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' B' ' 6' ' ' THR . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 39' ' ' LEU . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 40' ' ' LYS . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.907 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 53.01 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 70.15 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 37' ' ' TYR . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' HG12 ' A' ' 35' ' ' VAL . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.854 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 22' ' ' VAL . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' HD21 ' A' ' 26' ' ' LEU . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.34 111.133 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' CB ' HD12 ' A' ' 39' ' ' LEU . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 54.33 112.357 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 39' ' ' LEU . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 72.03 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' HD23 ' A' ' 62' ' ' LEU . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.45 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -63.63 -52.68 59.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.68 -51.29 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.903 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -55.18 -42.44 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.15 -51.37 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 70.53 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -61.61 -45.0 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.854 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.2 mtp -53.43 -55.3 26.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 74.22 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -82.99 167.93 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 70.21 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.47 114.93 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.16 -134.4 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 60.02 112.517 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -89.3 117.51 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 74.33 110.81 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -77.35 145.65 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 73.41 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -104.04 147.65 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.844 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.874 179.862 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 70.52 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.89 146.82 49.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.807 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -139.22 146.55 40.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 62.21 111.109 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.91 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -122.21 106.59 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.949 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 21' ' ' VAL . 4.1 m -120.62 157.57 29.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 53.34 111.182 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.4 154.44 14.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -75.21 165.19 25.59 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.325 0 N-CA-C 108.939 -0.763 . . . . 70.1 108.939 -136.15 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 t -154.81 109.05 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 72.52 110.893 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -102.72 134.3 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.01 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.57 -155.01 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 75.14 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.03 -73.86 0.89 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 62.51 112.533 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -108.37 -53.62 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 72.5 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -71.76 160.38 82.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.532 0.682 . . . . 74.43 111.122 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.5 Cg_endo -69.73 163.91 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 44.13 112.334 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -132.28 119.9 21.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.881 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.919 -179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.889 0.376 . . . . 73.32 110.954 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.2 111.147 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG11 HD22 ' A' ' 39' ' ' LEU . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.53 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.02 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 66' ' ' PHE . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.01 111.145 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 72.4 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.92 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 HG11 ' A' ' 22' ' ' VAL . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 50.41 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.1 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.615 ' O ' HD22 ' A' ' 38' ' ' LEU . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE2' HD23 ' A' ' 38' ' ' LEU . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 63.3 112.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.03 110.867 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.22 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 25' ' ' VAL . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.913 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.955 0.407 . . . . 71.41 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.17 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 53.12 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 35.41 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 64.45 110.953 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 57' ' ' LEU . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 62.32 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 71.05 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 53.2 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.629 ' O ' HD22 ' A' ' 38' ' ' LEU . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.22 111.113 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.2 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' HD12 ' A' ' 39' ' ' LEU . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 64.23 112.374 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 63.54 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 61.2 110.926 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 52.32 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 43.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 40.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.913 0.387 . . . . 63.42 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.477 HG23 ' CE ' ' A' ' 42' ' ' LYS . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 54.54 111.142 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.414 HG11 HD22 ' A' ' 39' ' ' LEU . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 41.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 38' ' ' LEU . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 50.42 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.935 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 57' ' ' LEU . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 53.02 110.938 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.05 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG23 ' A' ' 21' ' ' VAL . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.35 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 26' ' ' LEU . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.851 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.602 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 39' ' ' LEU . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 61.43 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 64.54 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 63.35 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 40.1 110.852 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.918 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.14 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.929 0.395 . . . . 63.23 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' HD2' ' A' ' 42' ' ' LYS . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.41 111.15 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 39' ' ' LEU . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 62' ' ' LEU . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.54 111.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 46' ' ' GLU . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.35 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 70.43 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.868 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.596 ' HB3' HG13 ' A' ' 22' ' ' VAL . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD2' HG23 ' A' ' 21' ' ' VAL . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG3' HD23 ' A' ' 26' ' ' LEU . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 41.35 111.157 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 71.13 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 71.45 110.924 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 64.23 110.877 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 45.24 112.321 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 55.12 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.956 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 51.32 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.2 110.914 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.917 0.389 . . . . 74.44 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 61.42 111.107 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' H ' HD12 ' A' ' 62' ' ' LEU . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.54 111.172 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 40' ' ' LYS . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 62.11 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 54' ' ' GLU . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 51.21 110.946 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HD3' HD21 ' A' ' 26' ' ' LEU . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 52.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 23.24 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 61.14 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 70.23 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 50.45 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB2' HG13 ' A' ' 35' ' ' VAL . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 62.54 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 65.52 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 71.03 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.88 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.927 0.394 . . . . 74.53 110.901 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 61.24 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HE3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 38' ' ' LEU . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' HD3' HG13 ' A' ' 31' ' ' VAL . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.1 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 ' HD3' ' A' ' 29' ' ' ARG . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 65.13 111.117 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 64.31 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 51.34 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 52.13 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 72.21 110.866 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 57' ' ' LEU . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 51.01 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB2' HD12 ' A' ' 39' ' ' LEU . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 72.05 110.868 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 61.15 112.341 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.872 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 63.02 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 52.24 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.871 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.931 0.396 . . . . 74.32 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.21 111.142 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 60.2 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 40' ' ' LYS . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 55.3 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 53.23 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 55.41 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 55.43 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 43.11 110.922 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 44.2 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.25 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 60.53 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 62.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 72.43 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 61.23 110.919 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 61.31 111.074 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.873 0.368 . . . . 74.43 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 39' ' ' LEU . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 53.12 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 53.21 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 41.22 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.12 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.882 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB3' HG23 ' A' ' 22' ' ' VAL . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 30.23 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 71.22 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 60.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.31 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.601 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CE2' HD23 ' A' ' 38' ' ' LEU . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.927 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.511 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.21 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 73.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 62' ' ' LEU . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 73.15 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.471 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 50.4 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 51.51 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.55 110.904 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.927 0.394 . . . . 75.44 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 39' ' ' LEU . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.201 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 60.45 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 63' ' ' ILE . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD21 ' HE2' ' A' ' 40' ' ' LYS . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 44.14 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 53.33 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.656 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 57' ' ' LEU . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.926 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.9 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 62.32 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 51.5 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.641 ' O ' HD22 ' A' ' 38' ' ' LEU . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.656 ' CE2' HD23 ' A' ' 38' ' ' LEU . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 62' ' ' LEU . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 63.35 110.944 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 HG21 ' A' ' 25' ' ' VAL . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.147 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 34.4 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 61.2 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.881 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.966 0.412 . . . . 72.1 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 39' ' ' LEU . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 54.23 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.642 HD11 ' HE2' ' A' ' 40' ' ' LYS . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.15 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 65.31 110.948 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 22' ' ' VAL . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 26' ' ' LEU . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.14 110.916 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 60.34 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 55.14 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.612 ' CE2' HD23 ' A' ' 38' ' ' LEU . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 39' ' ' LEU . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.531 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.896 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.444 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.879 0.371 . . . . 72.43 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.075 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 39' ' ' LEU . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 53.3 111.117 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 54.21 111.136 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 38' ' ' LEU . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.22 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 45.21 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 62.11 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 35' ' ' VAL . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 22' ' ' VAL . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.898 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HD3' HD11 ' A' ' 26' ' ' LEU . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.918 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 61.22 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.132 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 60.4 110.918 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 45.04 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' HB3' HD23 ' A' ' 62' ' ' LEU . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 62.4 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 25' ' ' VAL . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.136 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.924 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.965 0.412 . . . . 75.02 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.591 HG21 HD22 ' A' ' 39' ' ' LEU . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 71.35 111.061 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 50.31 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' LEU . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 72.44 111.104 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 38' ' ' LEU . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 72.05 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.31 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 73.12 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 37' ' ' TYR . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 43.21 111.116 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 35' ' ' VAL . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 22' ' ' VAL . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 44.5 110.942 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 53.13 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 65.24 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 26' ' ' LEU . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 55.03 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB2' HD12 ' A' ' 39' ' ' LEU . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 43.14 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.115 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 52.41 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.943 0.402 . . . . 74.51 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 42.34 111.15 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD22 ' A' ' 39' ' ' LEU . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 70.22 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 64.33 110.879 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.623 HD22 HG11 ' A' ' 22' ' ' VAL . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.937 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 54.11 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.489 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 53' ' ' PRO . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 63.01 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 72.34 110.933 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.942 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.45 111.135 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.943 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 73.15 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.554 HG23 ' CE ' ' A' ' 42' ' ' LYS . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 39' ' ' LEU . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 62' ' ' LEU . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 38' ' ' LEU . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.33 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 72.32 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 37' ' ' TYR . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 35' ' ' VAL . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.884 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' GLU . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.921 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.554 ' CE ' HG23 ' A' ' 21' ' ' VAL . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.891 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 73.21 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 73.42 110.881 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.617 ' O ' HD22 ' A' ' 38' ' ' LEU . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.856 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HB2' HD12 ' A' ' 39' ' ' LEU . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 61.22 112.356 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 53' ' ' PRO . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 44.1 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 64.44 110.871 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 62' ' ' LEU . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.22 111.122 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' HG13 ' A' ' 25' ' ' VAL . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 44.03 110.879 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.923 0.392 . . . . 73.24 110.96 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 39' ' ' LEU . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.44 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.96 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 54.24 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.34 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.604 ' O ' HD22 ' A' ' 38' ' ' LEU . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 43.3 111.193 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' A' ' 39' ' ' LEU . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.874 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.51 110.887 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 73.02 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.976 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 54.31 111.11 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.95 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.904 0.383 . . . . 75.21 110.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' HD2' ' A' ' 42' ' ' LYS . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 39' ' ' LEU . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 62' ' ' LEU . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 65.14 111.194 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 HD12 ' A' ' 38' ' ' LEU . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 60.4 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 64.52 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 37' ' ' TYR . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.144 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 35' ' ' VAL . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD12 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 45.0 110.921 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 57' ' ' LEU . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 54.01 110.865 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HD2' HG23 ' A' ' 21' ' ' VAL . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 11.43 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.32 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 72.21 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.532 ' CG ' HD23 ' A' ' 26' ' ' LEU . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 62.53 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.662 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.1 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.659 ' CE2' HD23 ' A' ' 38' ' ' LEU . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.945 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 39' ' ' LEU . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 72.41 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 HD21 ' A' ' 39' ' ' LEU . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 61.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.623 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 51.42 111.135 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 54.54 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 63.5 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.875 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.924 0.392 . . . . 74.23 110.928 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 HD22 ' A' ' 39' ' ' LEU . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 60.41 111.118 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 60.23 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 60.52 111.19 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 38' ' ' LEU . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 73.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 35' ' ' VAL . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.43 110.968 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 52' ' ' GLU . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.586 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.128 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.959 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.555 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 73.22 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 39' ' ' LEU . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.55 110.876 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 55.45 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 63.23 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.948 0.404 . . . . 61.45 110.956 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 70.31 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 39' ' ' LEU . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 62' ' ' LEU . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 55.14 111.11 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 70.44 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 70.52 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 65.53 110.876 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 22' ' ' VAL . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 63.03 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 63.42 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE2' HD23 ' A' ' 38' ' ' LEU . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 39' ' ' LEU . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 73.41 110.825 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.33 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 62' ' ' LEU . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.51 111.178 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 70.54 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 64.25 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.935 0.398 . . . . 75.21 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 54.35 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 71.45 111.175 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 40' ' ' LYS . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' A' ' 54' ' ' GLU . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.158 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 52.1 110.884 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 52' ' ' GLU . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 26' ' ' LEU . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 51.53 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 64.03 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 39' ' ' LEU . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' A' ' 35' ' ' VAL . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 39' ' ' LEU . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.853 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.483 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 35.12 110.853 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' HD22 ' A' ' 62' ' ' LEU . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.23 111.129 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 73.41 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 52.45 110.867 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.944 0.402 . . . . 73.4 110.861 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 39' ' ' LEU . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 40' ' ' LYS . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.907 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 53.01 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 70.15 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 37' ' ' TYR . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' HG12 ' A' ' 35' ' ' VAL . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.854 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 22' ' ' VAL . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' HD21 ' A' ' 26' ' ' LEU . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.34 111.133 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.541 ' CB ' HD12 ' A' ' 39' ' ' LEU . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 54.33 112.357 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 39' ' ' LEU . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 72.03 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' HD23 ' A' ' 62' ' ' LEU . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.45 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.497 -0.241 . . . . 71.1 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.8 m -132.69 152.3 51.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.898 0.38 . . . . 72.14 110.881 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -74.69 116.22 15.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 73.01 110.86 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ttp -142.95 131.38 22.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 75.21 110.903 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.47 89.41 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.705 -0.759 . . . . 75.15 112.556 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -97.12 153.85 17.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.359 . . . . 54.33 110.905 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -128.76 148.43 50.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.91 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -146.22 131.27 18.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 74.15 111.134 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -150.26 109.8 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 74.3 110.863 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -132.88 150.0 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.0 t -131.57 136.05 47.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 65.5 111.153 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -154.14 146.32 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 73.15 111.086 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -91.25 138.24 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 64.02 110.852 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -123.66 135.79 54.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.534 -1.212 . . . . 74.41 110.892 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -164.98 148.39 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.87 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -70.79 111.76 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 74.24 110.907 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -145.16 -53.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.487 . . . . 70.13 110.881 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.594 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.4 tt0 -80.02 153.0 29.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 72.23 110.892 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -123.14 141.4 52.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.32 110.954 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG11 ' HD2' ' B' ' 4' ' ' LYS . 47.1 t -105.5 141.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 54.2 111.147 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG11 HD22 ' A' ' 39' ' ' LEU . 38.6 t -87.37 150.67 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 71.53 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -100.85 -55.57 2.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.872 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -177.16 164.27 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 73.02 110.875 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 66' ' ' PHE . 11.4 p -71.74 146.78 11.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 71.01 111.145 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 mp -116.95 -51.22 2.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.915 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -146.97 169.74 18.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.846 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -135.65 140.1 44.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.892 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -157.27 145.14 19.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 75.41 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -113.38 136.05 53.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 61.35 110.921 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -146.34 137.4 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 70.51 111.074 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.8 mttp 56.06 45.79 22.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.918 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.69 27.25 63.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.761 -0.733 . . . . 64.43 112.538 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -136.08 126.06 26.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 72.4 110.91 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -86.88 131.55 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 71.32 111.117 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -126.7 153.28 45.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 63.35 110.892 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -128.21 136.62 51.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.974 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 50' ' ' THR . 0.3 OUTLIER -76.76 106.04 8.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.92 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 HG11 ' A' ' 22' ' ' VAL . 34.7 mt -106.89 146.43 30.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 74.33 110.887 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 117.22 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.941 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -87.21 157.29 19.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 65.43 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -54.16 118.7 4.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 64.45 110.897 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.5 -30.6 7.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 50.41 112.505 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.76 150.07 28.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 74.41 110.895 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m -121.86 169.12 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 61.21 110.819 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -55.98 -22.01 24.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 71.41 110.847 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -54.77 -36.97 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 74.31 110.838 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -73.36 -20.97 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 75.32 110.815 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m120 48.07 66.92 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 64.1 110.857 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.615 ' O ' HD22 ' A' ' 38' ' ' LEU . 28.3 p -91.97 131.4 37.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 73.14 111.156 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE2' HD23 ' A' ' 38' ' ' LEU . 87.5 m95 -114.13 145.85 41.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.878 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.8 tt0 -131.46 136.92 29.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.66 0.743 . . . . 73.24 110.902 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.488 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.71 153.94 68.54 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.261 . . . . 63.3 112.332 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 13.8 tt0 -54.02 -45.52 71.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.916 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -51.15 -47.58 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 73.51 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -75.12 -29.36 60.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 50.32 110.893 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.85 104.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.934 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -107.55 46.96 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 62.14 110.863 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.511 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.51 81.22 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.607 0.717 . . . . 71.03 110.867 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -42.16 3.64 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.711 2.274 . . . . 54.34 112.338 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -49.01 -40.68 31.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.855 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.4 mm? -54.03 -41.0 67.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 61.22 110.92 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.8 mp -74.78 -41.84 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.14 111.13 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -51.31 -52.38 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 63.25 110.835 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.95 -41.75 74.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 63.04 110.861 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.475 ' CD1' HG13 ' A' ' 25' ' ' VAL . 61.8 t80 -52.88 -44.57 66.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 64.14 110.865 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 mmt -57.51 -36.58 71.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.944 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -57.82 -51.42 69.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.913 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -67.18 -49.9 63.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 71.13 110.9 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -53.29 -44.03 67.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.26 -51.42 44.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.944 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -57.86 -41.59 82.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.32 110.905 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -53.99 -53.82 47.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 74.42 110.869 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -78.19 145.6 35.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 73.04 110.847 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -84.21 115.44 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.916 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -134.15 -142.05 4.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.706 -0.759 . . . . 71.05 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.18 150.14 52.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 75.34 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -89.6 135.48 33.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.876 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -147.84 151.74 36.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 75.25 110.903 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.04 110.903 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 75.45 111.1 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -129.66 132.8 46.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.876 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 35.7 p -132.3 -52.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 72.44 111.126 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.437 ' HD2' HG11 ' A' ' 21' ' ' VAL . 13.8 ptpt -58.91 157.55 9.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.895 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -68.09 119.05 12.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.594 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.4 m -142.55 142.75 32.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.158 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.83 160.84 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 50.11 111.109 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -83.02 173.4 11.8 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-O 121.078 0.466 . . . . 64.42 110.817 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.393 0 N-CA-C 108.901 -0.777 . . . . 72.41 108.901 -136.132 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.43 109.07 3.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.947 0.403 . . . . 42.02 110.878 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -119.03 154.47 33.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.493 . . . . 51.21 111.146 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.3 72.67 1.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 61.23 112.465 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.07 105.53 0.27 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 55.34 112.468 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -75.6 150.8 37.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.762 0.315 . . . . 72.01 110.923 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.57 77.22 2.29 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.573 0.701 . . . . 72.33 111.091 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 165.49 30.83 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 74.33 112.338 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -68.13 -53.49 24.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 54.25 110.856 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 40.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 63.53 110.946 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.504 -0.238 . . . . 55.12 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.3 m -151.1 110.95 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.86 0.362 . . . . 61.21 110.898 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -141.77 108.9 5.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 50.33 110.848 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtp -98.49 -53.55 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.35 110.915 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -163.36 111.16 0.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 44.04 112.448 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -72.93 108.11 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 75.23 110.902 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -74.71 145.66 42.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 60.31 110.937 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -89.02 136.79 32.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 60.54 111.116 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -139.74 112.7 8.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.967 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -131.8 107.83 9.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 64.1 110.869 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -89.11 109.19 20.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 65.5 111.132 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.58 106.99 19.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.05 111.102 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.16 144.89 40.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 73.05 110.842 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -128.29 156.24 43.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.552 -1.204 . . . . 62.34 110.858 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -59.89 150.89 27.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 62.34 110.857 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.55 152.41 43.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.37 -53.32 3.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.908 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.548 ' HG2' HG22 ' B' ' 6' ' ' THR . 6.1 tt0 -79.35 146.16 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 74.54 110.846 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -113.08 136.82 52.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.064 -0.517 . . . . 71.41 110.889 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG22 HG21 ' B' ' 6' ' ' THR . 45.8 t -106.04 129.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 75.15 111.073 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.7 p -82.25 149.69 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 73.43 111.148 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -104.03 -55.21 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.854 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.76 164.19 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.952 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.552 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -71.73 145.42 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 65.21 111.17 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.0 mp -114.93 -50.22 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 53.12 110.934 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.05 169.95 18.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.886 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.0 ttm180 -135.7 141.62 44.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.824 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -147.62 166.99 25.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.35 110.859 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.2 ttt -139.28 129.42 25.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.879 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -146.12 137.42 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 71.03 111.107 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.8 mttt 55.85 46.75 21.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.852 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.7 26.63 60.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.759 -0.734 . . . . 35.41 112.498 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -133.53 126.25 30.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 73.44 110.903 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -91.75 128.58 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 73.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -118.57 155.83 30.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 65.11 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -128.27 138.21 52.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 62.3 110.919 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.46 107.1 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 64.45 110.953 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 HD11 ' A' ' 57' ' ' LEU . 59.9 mt -104.67 136.67 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.932 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.37 107.22 19.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.905 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -85.58 157.19 20.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.891 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -54.28 119.97 5.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 72.53 110.809 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.83 6.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 62.32 112.494 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -93.19 133.6 36.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.342 . . . . 71.05 110.874 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 m -111.39 175.93 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 71.11 110.823 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -56.64 -21.49 27.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 53.2 110.859 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -53.27 -40.91 65.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 73.24 110.909 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -73.55 -19.93 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 75.05 110.816 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.89 66.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 71.31 110.824 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.629 ' O ' HD22 ' A' ' 38' ' ' LEU . 40.9 p -92.61 131.06 38.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 73.22 111.113 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.4 m95 -118.45 147.89 43.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.2 110.894 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' HG3' HD12 ' A' ' 39' ' ' LEU . 16.7 mm-40 -131.41 144.83 55.02 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.659 0.742 . . . . 74.34 110.864 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.3 Cg_endo -69.67 152.41 69.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.648 2.232 . . . . 64.23 112.374 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -57.2 -41.47 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 74.44 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -53.23 -49.65 66.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 63.54 110.956 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -72.77 -29.36 63.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 74.23 110.839 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.62 HD11 HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -55.42 100.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 61.2 110.926 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -106.47 52.52 0.72 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 63.5 110.916 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.548 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.12 80.43 2.73 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.646 0.736 . . . . 71.32 110.91 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -45.2 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.63 2.22 . . . . 52.32 112.357 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.63 -38.56 21.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 72.2 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.552 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.5 mm? -54.92 -43.44 73.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 43.44 110.903 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.494 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -70.88 -40.02 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 65.13 111.14 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.9 t -51.27 -47.18 62.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.14 110.896 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -81.4 -28.27 34.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 40.1 110.914 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -55.75 -46.5 77.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 75.31 110.886 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.9 ptp -63.6 -31.26 72.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 71.42 110.938 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -58.92 -52.67 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.44 110.918 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -67.04 -51.5 53.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.876 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -53.97 -42.43 68.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.906 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -50.35 -51.58 44.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 75.53 110.918 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -60.24 -47.06 87.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 75.02 110.941 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -56.42 -53.7 54.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.03 110.915 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -74.49 154.2 38.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.956 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -97.62 128.38 44.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.963 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -174.79 -122.62 0.7 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.759 -0.734 . . . . 55.32 112.497 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -131.68 120.04 22.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 74.34 110.912 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -149.71 133.21 16.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 73.53 110.922 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -131.64 134.89 46.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 63.02 110.893 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 62.21 110.919 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.766 0.317 . . . . 52.04 111.093 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.3 149.42 11.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 72.34 110.932 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -137.59 151.77 48.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 63.33 111.118 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -134.55 152.33 51.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 75.02 110.843 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -101.84 122.41 43.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.87 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.548 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.3 m -135.76 144.55 45.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.138 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -137.07 155.65 49.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.143 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -78.97 162.02 26.26 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 121.024 0.44 . . . . 55.42 110.878 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.946 -0.761 . . . . 74.45 108.946 -136.192 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 16.9 p -155.45 140.89 17.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 74.43 110.868 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 35.9 p -107.25 145.62 32.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.502 . . . . 61.52 111.152 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.94 54.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 65.32 112.532 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -174.14 -64.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.788 -0.72 . . . . 41.0 112.474 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -79.66 111.21 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 55.55 110.881 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -104.36 160.34 26.35 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.547 0.689 . . . . 73.53 111.139 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.5 Cg_endo -69.75 114.83 3.83 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.619 2.213 . . . . 71.41 112.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -106.1 140.14 39.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 62.24 110.867 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.46 . . . . 73.03 110.904 -179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.51 -0.236 . . . . 55.42 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 45.7 m -156.45 132.16 9.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.907 0.384 . . . . 31.43 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -75.49 126.28 30.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.8 mtp -138.29 119.83 15.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 72.12 110.886 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.72 87.23 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 74.25 112.474 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -99.14 149.35 23.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.32 . . . . 62.32 110.961 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -79.54 150.31 31.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 70.23 110.945 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -103.07 155.2 18.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.404 . . . . 71.23 111.169 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.84 117.25 33.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 75.25 110.936 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -132.2 148.18 52.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 74.51 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -108.4 135.17 50.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.32 111.076 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.64 119.86 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 64.15 111.083 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -125.94 147.75 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 74.52 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -60.09 152.35 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.531 -1.213 . . . . 64.24 110.861 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -83.44 146.36 28.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 73.33 110.922 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 55.22 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.435 . . . . 72.43 110.91 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -145.36 106.34 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 71.44 110.829 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.8 tt0 -150.16 144.42 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 73.11 110.904 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -120.77 147.77 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.42 110.874 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG22 ' CG2' ' B' ' 6' ' ' THR . 54.8 t -106.41 147.07 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 54.54 111.142 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.414 HG11 HD22 ' A' ' 39' ' ' LEU . 55.7 t -81.54 143.73 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 41.41 111.05 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -101.56 -54.89 2.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 70.31 110.948 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.31 163.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 65.44 110.921 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.6 t -80.7 146.04 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 74.22 111.113 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 38' ' ' LEU . 68.5 mt -118.29 -50.54 2.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.12 110.943 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -146.41 166.17 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.931 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.0 ttp85 -133.53 141.27 47.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 73.54 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -148.54 169.96 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.877 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.7 ttt -139.04 131.84 29.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.882 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.55 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 75.14 111.143 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp 55.9 46.67 21.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.93 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.18 59.78 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.773 -0.727 . . . . 50.42 112.521 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -133.86 126.21 30.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 75.43 110.928 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.24 128.24 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 72.54 111.092 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -118.63 151.62 37.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 63.45 110.89 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -127.5 142.37 51.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.002 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.694 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -79.69 109.89 14.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 64.22 110.935 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.596 HD21 HD11 ' A' ' 57' ' ' LEU . 67.6 mt -109.7 128.41 55.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 53.02 110.938 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -86.66 109.62 19.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 72.05 110.906 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -85.75 156.93 20.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.261 -0.427 . . . . 74.42 110.9 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' CE ' HG23 ' A' ' 21' ' ' VAL . 13.4 ptpt -53.85 119.99 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.35 110.872 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.4 -30.53 6.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 74.51 112.535 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -89.87 144.77 25.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 75.22 110.885 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.2 m -122.01 175.19 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 74.11 110.869 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 26' ' ' LEU . 29.0 tt0 -54.71 -24.5 22.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 73.32 110.851 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -53.4 -40.92 65.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 71.43 110.907 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -73.6 -20.0 60.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 73.22 110.886 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.06 66.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 61.03 110.895 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.602 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.1 p -92.49 131.57 37.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 73.45 111.144 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.8 m95 -118.75 148.23 43.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 74.42 111.0 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.448 ' HB2' HD12 ' A' ' 39' ' ' LEU . 21.1 mm-40 -129.32 148.88 71.02 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.65 0.738 . . . . 61.43 110.913 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.543 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.7 Cg_endo -69.65 152.12 69.8 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.694 2.262 . . . . 71.14 112.397 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.96 -41.87 88.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.414 . . . . 74.14 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -53.81 -49.17 68.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 64.54 110.914 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.64 -29.28 63.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 63.35 110.95 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -54.56 100.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.926 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -105.99 53.86 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 65.23 110.888 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.44 80.98 2.57 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.641 0.734 . . . . 40.1 110.852 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.39 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.665 2.243 . . . . 74.55 112.365 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.2 pt-20 -48.82 -38.31 21.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.454 . . . . 64.2 110.912 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.23 -43.13 74.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.918 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -69.3 -42.26 81.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 73.33 111.145 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.8 t -51.7 -51.41 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 61.14 110.837 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -72.59 -42.92 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 63.04 110.888 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -54.29 -43.41 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.54 110.874 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.4 mmt -57.54 -34.05 68.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.796 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -57.63 -51.41 69.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 74.5 110.858 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -67.97 -51.75 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 71.41 110.862 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -53.28 -43.45 67.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 74.42 110.945 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.1 mmtt -50.38 -51.8 42.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 73.05 110.864 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -57.69 -42.42 83.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 73.52 110.889 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.19 -53.62 51.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 50.0 110.897 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -81.24 159.15 24.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.853 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -102.53 138.56 39.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 51.44 110.893 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.02 -148.72 5.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 54.14 112.499 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -104.51 154.04 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 71.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -99.73 153.55 19.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 73.51 110.911 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -131.98 154.1 49.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 70.45 110.921 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.951 179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.338 . . . . 64.23 111.091 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -105.42 133.96 49.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 64.02 110.889 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -94.22 133.77 37.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.35 111.169 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -107.63 108.77 20.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 73.14 110.949 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -114.7 107.74 15.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.901 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.53 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.1 m -127.14 147.74 50.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.21 111.148 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.91 148.4 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 62.34 111.082 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.4 ttp85 -78.77 155.92 29.07 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.03 0.443 . . . . 75.22 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.368 0 N-CA-C 108.929 -0.767 . . . . 75.41 108.929 -136.123 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 45.5 t -154.43 117.17 4.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 75.14 110.814 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.411 HG23 ' N ' ' B' ' 12' ' ' GLY . 5.7 t -59.46 -42.55 92.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 63.05 111.171 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.411 ' N ' HG23 ' B' ' 11' ' ' THR . . . 61.5 -108.74 2.09 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.672 -0.775 . . . . 62.12 112.472 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.46 -78.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 63.24 112.415 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.18 152.76 20.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 63.31 110.912 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -78.72 160.48 71.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 73.34 111.092 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.9 Cg_endo -69.81 -47.6 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 72.24 112.308 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -63.45 119.68 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 64.41 110.86 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.946 -179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.439 -0.264 . . . . 64.5 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 p -147.11 142.85 27.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.928 0.394 . . . . 31.14 110.823 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 54.07 55.08 8.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.822 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 ptm -134.12 151.79 51.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 64.21 110.91 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.86 74.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 62.41 112.505 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -104.37 150.04 24.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.843 0.354 . . . . 71.43 110.906 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -142.9 150.28 39.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 73.2 110.923 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.9 p -103.13 152.23 21.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.181 -0.463 . . . . 75.41 111.126 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -106.9 131.62 53.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.86 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -135.6 108.47 7.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.852 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -135.59 118.14 15.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 71.33 111.16 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.8 110.25 22.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.13 111.104 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -133.34 137.23 45.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 74.31 110.857 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -130.96 153.27 49.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.549 -1.205 . . . . 73.02 110.851 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -67.54 154.24 41.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 52.31 110.856 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.75 151.29 25.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.846 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.98 108.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 70.03 110.855 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HG2' HG22 ' B' ' 6' ' ' THR . 8.9 tt0 -149.76 139.75 21.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 73.35 110.902 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -107.3 142.22 37.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 63.23 110.954 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.571 HG22 ' CG2' ' B' ' 6' ' ' THR . 82.4 t -107.66 146.54 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.41 111.15 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 ' HB3' ' A' ' 39' ' ' LEU . 61.7 t -91.32 132.15 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.31 111.099 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.14 -57.63 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.879 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.28 164.69 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.951 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' HB3' ' A' ' 62' ' ' LEU . 57.6 t -70.07 129.64 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.54 111.08 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 46' ' ' GLU . 8.8 mp -99.97 -46.05 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 64.35 110.877 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -156.04 171.07 20.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 64.44 110.871 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.1 ttt-85 -137.41 145.05 42.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.876 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ttp180 -156.98 167.91 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.883 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.4 ttt -138.64 131.65 29.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.939 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.5 m -145.98 137.54 19.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 70.43 111.089 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mttm 56.55 46.8 19.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 63.34 110.904 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.69 26.85 60.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.729 . . . . 72.13 112.492 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -133.81 126.32 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 74.15 110.862 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 p -92.27 129.47 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.121 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -123.2 156.17 35.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 52.43 110.871 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -129.88 134.82 47.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.954 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.31 113.16 14.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 71.12 110.868 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.596 ' HB3' HG13 ' A' ' 22' ' ' VAL . 35.6 mt -117.94 149.49 40.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 64.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.1 mtpt -100.39 116.87 33.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 73.41 110.941 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -92.57 159.79 15.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.259 -0.428 . . . . 71.4 110.969 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' HD2' HG23 ' A' ' 21' ' ' VAL . 21.0 mtpp -51.14 106.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.917 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.83 -31.27 8.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 55.53 112.522 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.37 138.69 32.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.943 0.401 . . . . 74.11 110.801 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -121.8 175.13 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.809 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' HG3' HD23 ' A' ' 26' ' ' LEU . 31.6 tt0 -53.26 -26.86 19.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.859 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -53.0 -42.68 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -73.78 -20.24 60.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 73.24 110.837 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 49.66 66.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 73.24 110.935 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.596 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.2 p -92.76 131.8 37.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 41.35 111.157 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.4 m95 -112.75 150.42 31.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.939 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -130.4 146.49 61.92 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.682 0.754 . . . . 71.13 110.891 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.478 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.71 147.08 62.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.711 2.274 . . . . 75.11 112.321 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -38.4 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.862 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -57.01 -48.91 77.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.894 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -71.63 -29.4 64.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 73.3 110.881 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -53.52 101.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 71.45 110.924 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -104.34 55.66 0.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 64.01 110.877 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.475 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.5 81.02 1.75 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.683 0.754 . . . . 64.23 110.877 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.4 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.0 Cg_endo -69.82 -46.54 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.685 2.256 . . . . 45.24 112.321 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.9 pt-20 -49.19 -37.4 22.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 55.12 110.888 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.44 -42.39 74.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 73.23 110.956 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -66.43 -46.74 85.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 70.05 111.132 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -51.86 -45.13 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 51.32 110.884 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -76.95 -46.47 24.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.828 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -53.03 -43.29 66.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 65.53 110.852 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 11.3 mmt -55.59 -35.4 65.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 72.13 110.844 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.47 -52.77 64.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 64.2 110.914 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -65.55 -51.82 57.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 70.15 110.905 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -53.66 -42.2 67.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 63.35 110.925 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.2 mttt -50.14 -52.48 34.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 62.3 110.909 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -59.68 -47.02 87.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.925 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 22.2 ttm -56.15 -53.37 57.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.891 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -74.67 156.55 36.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 64.21 110.888 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.16 -45.35 93.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 75.2 110.915 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 179.76 125.07 0.93 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.742 -0.742 . . . . 61.35 112.51 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -146.04 143.35 29.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.85 0.357 . . . . 70.23 110.904 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -148.4 129.59 14.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.22 110.944 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -165.18 144.58 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 43.24 110.877 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 64.01 110.914 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.799 0.333 . . . . 70.34 111.119 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 78.1 mtm-85 -71.25 146.03 49.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.845 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -79.41 149.36 31.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 73.54 111.167 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -120.52 106.55 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.03 110.918 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -107.73 105.99 16.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 63.12 110.914 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.571 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.0 m -130.43 145.74 51.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 71.11 111.083 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.15 148.8 17.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 54.33 111.1 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 37.0 mtt85 -66.48 158.93 28.3 Favored 'General case' 0 C--O 1.243 0.732 0 CA-C-O 121.067 0.461 . . . . 75.43 110.837 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.899 -0.778 . . . . 74.22 108.899 -136.17 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -154.6 151.43 28.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.965 0.412 . . . . 64.44 110.819 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -66.16 137.33 56.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 65.4 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.65 87.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.733 -0.746 . . . . 62.34 112.456 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.98 129.29 1.01 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 74.21 112.494 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.49 -53.64 2.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.743 0.306 . . . . 62.22 110.851 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -147.21 160.33 39.96 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.534 0.683 . . . . 73.24 111.14 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.7 Cg_endo -69.75 -48.05 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.669 2.246 . . . . 71.41 112.334 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -101.86 125.25 48.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 63.23 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.886 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.446 -0.261 . . . . 73.23 112.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 51.1 p 50.36 49.46 20.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.944 0.402 . . . . 75.42 110.866 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -152.71 116.95 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.811 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.3 ttm -105.9 -53.54 2.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.899 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.74 68.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 54.31 112.503 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -73.6 110.02 7.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 65.03 110.88 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.96 125.66 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 64.04 110.944 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -102.59 153.96 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.29 -0.414 . . . . 64.24 111.079 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -163.81 127.97 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.867 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -134.72 124.55 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 70.25 110.92 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -134.6 110.5 9.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 70.4 111.112 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.08 110.89 22.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.25 111.041 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.31 116.06 31.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.871 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -110.18 146.5 35.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.593 -1.185 . . . . 60.41 110.849 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -94.21 133.12 38.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 63.15 110.821 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -63.16 121.92 14.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.911 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -131.79 112.46 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.887 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -149.31 150.07 31.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.856 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.408 ' CD2' HM22 ' B' ' 9' ' ' M3L . 19.0 m-85 -123.85 140.82 52.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 74.44 110.889 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.3 t -105.53 136.42 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 61.42 111.107 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 13.7 p -92.04 149.78 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.131 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -94.55 -57.6 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.854 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.91 165.82 2.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.925 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' H ' HD12 ' A' ' 62' ' ' LEU . 7.8 p -67.82 126.83 28.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.54 111.172 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' HD3' ' A' ' 40' ' ' LYS . 9.5 mp -97.03 -54.77 3.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 62.11 110.936 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -143.4 171.08 14.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 71.41 110.896 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -136.81 144.6 43.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.477 . . . . 72.53 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -151.44 167.13 28.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.33 110.913 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.3 ttt -139.12 129.99 26.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.93 137.37 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 72.25 111.143 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 55.47 46.75 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 70.22 110.862 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.98 26.63 61.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 72.2 112.549 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -133.33 126.25 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 73.11 110.929 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG13 ' HB2' ' A' ' 54' ' ' GLU . 15.0 p -92.03 130.14 41.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 70.41 111.159 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -123.09 158.32 30.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.869 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -131.39 140.98 49.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.881 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.05 107.22 12.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 51.21 110.946 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.3 mt -105.15 120.03 40.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.944 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.522 ' HD3' HD21 ' A' ' 26' ' ' LEU . 4.8 ttpp -83.32 107.52 15.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 73.53 110.938 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -84.63 157.42 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.319 -0.401 . . . . 74.4 110.936 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -51.88 116.59 2.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 52.23 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.88 -30.59 7.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 23.24 112.517 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -81.32 139.6 35.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.348 . . . . 61.14 110.9 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.9 m -122.12 174.86 6.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 70.23 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -52.56 -28.0 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 71.53 110.833 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -53.36 -33.87 55.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 71.02 110.941 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -81.9 -22.32 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.79 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 m120 44.74 66.88 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 74.44 110.868 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -91.91 131.1 37.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 50.45 111.081 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 75.9 m95 -118.87 150.52 39.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.925 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.8 mp0 -131.62 148.98 72.19 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.642 0.734 . . . . 70.45 110.86 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.533 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.8 Cg_endo -69.85 147.56 62.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.705 2.27 . . . . 73.41 112.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB2' HG13 ' A' ' 35' ' ' VAL . 10.7 tt0 -57.68 -41.05 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 73.34 110.984 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -54.4 -49.05 70.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 62.54 110.9 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -73.3 -29.46 62.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.852 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD11 HD21 ' A' ' 39' ' ' LEU . 1.2 mm? -53.45 101.84 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.875 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -101.3 53.24 0.83 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 65.52 110.832 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.0 OUTLIER -162.23 79.55 1.91 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 73.35 110.873 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -45.38 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 74.14 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.18 -38.34 25.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.933 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.6 mm? -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 71.03 110.904 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' H ' ' A' ' 63' ' ' ILE . 5.1 mp -71.99 -46.88 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 74.4 111.1 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.8 t -52.18 -51.42 58.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.858 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.69 -47.82 71.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.86 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -53.41 -42.61 67.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 73.02 110.866 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 41.1 mtt -55.73 -35.95 66.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 61.43 110.878 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -57.98 -52.65 64.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.13 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -65.97 -51.84 54.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 64.32 110.906 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -53.87 -42.15 68.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 75.33 110.91 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -50.54 -51.63 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.23 110.898 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -60.15 -47.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 72.12 110.923 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.1 tpt -55.86 -53.94 50.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.04 110.863 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -75.59 157.96 33.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 64.43 110.922 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.85 -45.45 92.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 73.13 110.872 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.04 145.68 2.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 65.42 112.502 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -106.57 140.02 40.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.839 0.352 . . . . 63.44 110.945 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -72.57 116.2 12.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.12 110.912 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -132.95 153.72 51.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 75.03 110.854 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.799 0.333 . . . . 63.33 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -99.61 122.36 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 73.32 110.9 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 19.2 p -138.76 123.1 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 64.01 111.07 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -125.45 149.09 48.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 61.23 110.871 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -126.85 125.98 42.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.907 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.489 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.5 m -141.04 158.05 44.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 64.11 111.083 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.5 164.82 21.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.136 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 86.1 mtm-85 -83.38 168.72 16.32 Favored 'General case' 0 C--O 1.243 0.724 0 CA-C-N 116.178 -0.464 . . . . 71.1 110.882 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . 0.408 HM22 ' CD2' ' A' ' 20' ' ' TYR . . . . . . . . 0 N--CA 1.506 2.375 0 N-CA-C 108.915 -0.772 . . . . 75.0 108.915 -136.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 p -151.76 158.3 43.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.997 0.427 . . . . 71.13 110.852 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -58.59 118.34 5.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.068 -0.515 . . . . 44.12 111.15 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.96 53.07 4.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 74.44 112.439 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.54 -54.12 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 73.45 112.45 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -144.68 107.03 4.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.82 0.343 . . . . 61.24 110.91 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -138.63 160.48 63.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.537 0.684 . . . . 52.23 111.094 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.71 158.03 58.42 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.636 2.224 . . . . 72.13 112.389 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? 54.24 54.8 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.873 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 26.9 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.912 -179.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.52 -0.232 . . . . 75.24 112.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 53.9 m -106.03 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.865 0.364 . . . . 64.33 110.828 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -164.54 143.01 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 71.25 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.2 mmm -95.07 -53.61 3.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 64.12 110.862 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.73 86.78 0.12 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 72.14 112.517 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -76.01 132.7 40.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 60.32 110.94 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -134.12 116.85 15.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 73.22 110.908 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -69.92 127.1 31.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 72.12 111.173 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -94.8 108.54 20.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.974 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -133.53 126.54 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.888 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -82.86 131.33 35.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.146 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.19 124.96 35.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 41.12 111.102 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -130.82 141.68 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.9 147.87 41.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.541 -1.209 . . . . 73.25 110.859 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.22 111.65 24.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 42.13 110.899 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -126.72 153.21 45.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.885 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 54.15 55.92 7.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 72.34 110.877 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -105.16 141.86 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 72.22 110.907 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -110.78 143.38 41.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.901 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.52 140.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 54.31 111.195 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -89.53 147.48 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 61.24 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -99.68 -55.96 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.954 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.44 ' HE3' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -178.62 164.03 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 73.35 110.846 179.883 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.8 t -72.61 146.55 10.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 63.22 111.12 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 38' ' ' LEU . 73.0 mt -117.16 -49.87 2.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 75.14 110.887 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -147.87 166.72 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.865 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -131.62 146.36 52.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 75.14 110.887 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' HD3' HG13 ' A' ' 31' ' ' VAL . 4.4 tmm_? -148.17 148.08 30.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 74.22 110.853 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 12.5 ttt -138.73 122.39 17.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.1 110.929 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG13 ' HD3' ' A' ' 29' ' ' ARG . 17.8 m -146.15 138.85 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 65.13 111.117 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 58.94 47.94 11.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 62.41 110.951 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.59 18.49 38.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.787 -0.72 . . . . 64.31 112.449 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -121.5 125.8 47.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.366 . . . . 73.22 110.869 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.4 p -104.6 129.61 56.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 51.34 111.11 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -126.07 151.83 46.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 52.13 110.961 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -127.29 142.44 51.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.443 . . . . 74.45 110.914 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.724 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -80.34 116.11 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 72.21 110.866 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD21 HD11 ' A' ' 57' ' ' LEU . 48.9 mt -116.65 126.4 53.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 75.02 110.913 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -84.38 106.97 16.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.894 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -85.17 158.28 20.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 75.31 110.97 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -51.57 135.7 27.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.3 -0.409 . . . . 64.02 110.894 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.04 26.3 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.532 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -143.05 143.31 31.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.907 0.384 . . . . 74.54 110.887 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.4 m -121.65 175.5 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.883 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.06 -19.77 34.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.897 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.37 -41.36 65.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 51.01 110.858 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -73.35 -20.04 60.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 70.2 110.836 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.0 m120 50.74 65.84 1.35 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.197 -0.456 . . . . 72.12 110.932 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.608 ' O ' HD22 ' A' ' 38' ' ' LEU . 25.6 p -92.85 130.77 38.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 73.22 111.14 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.2 m95 -118.59 147.13 44.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 74.15 110.901 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' HB2' HD12 ' A' ' 39' ' ' LEU . 19.1 mm-40 -126.7 149.15 67.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 72.05 110.868 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.79 150.93 68.68 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.657 2.238 . . . . 61.15 112.341 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -58.08 -42.72 86.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 71.13 110.92 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -53.62 -49.13 68.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.35 110.901 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -72.74 -29.34 63.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.478 . . . . 72.34 110.91 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.583 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.23 101.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 73.2 110.872 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -105.02 52.78 0.73 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 63.4 110.858 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.27 79.52 2.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 74.44 110.88 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -46.83 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.719 2.279 . . . . 70.42 112.338 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.1 pt-20 -48.98 -37.83 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.1 mm? -54.46 -43.76 71.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 74.31 110.935 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.502 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.5 mp -67.16 -45.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 74.14 111.159 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.3 t -51.97 -50.63 60.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 63.14 110.874 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.26 -40.28 71.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 63.02 110.909 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -52.58 -44.14 65.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mmm -59.02 -35.21 72.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 52.24 110.867 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -61.34 -52.83 63.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 72.5 110.871 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -61.87 -51.94 66.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 63.02 110.91 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -56.3 -42.83 78.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 73.01 110.871 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -50.52 -49.77 54.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.11 110.898 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -65.84 -45.75 81.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.95 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -53.94 -54.3 40.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 74.54 110.852 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -80.81 156.28 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 64.25 110.869 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -80.3 107.77 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.54 110.865 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -142.07 157.89 26.6 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.767 -0.73 . . . . 51.55 112.546 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.33 123.79 18.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 70.22 110.887 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -71.78 142.43 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 65.12 110.908 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.87 154.07 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 72.14 110.885 179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.763 0.316 . . . . 65.54 111.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -119.9 53.11 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.855 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -108.82 153.1 23.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.24 111.147 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -163.17 108.86 1.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.898 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -88.84 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 72.3 110.896 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.4 m -125.36 155.92 39.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.259 -0.428 . . . . 75.14 111.149 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.12 152.14 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 61.3 111.143 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -70.63 167.01 19.49 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.03 0.443 . . . . 72.34 110.885 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.304 0 N-CA-C 108.978 -0.749 . . . . 75.21 108.978 -136.197 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.2 t -155.13 120.51 4.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 50.13 110.849 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -113.84 146.97 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 75.22 111.147 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.79 60.57 0.69 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.778 -0.725 . . . . 74.15 112.491 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.05 -131.24 0.59 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 72.21 112.462 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.17 108.65 15.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 75.14 110.861 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -159.29 160.2 28.51 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.551 0.691 . . . . 44.03 111.148 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 52.8 Cg_endo -69.89 126.24 12.99 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.642 2.228 . . . . 71.43 112.344 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -86.48 151.63 23.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 65.41 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 8.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.54 110.898 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.464 -0.254 . . . . 72.54 112.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.3 t -91.92 -53.6 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 55.21 110.866 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.4 p80 39.2 42.49 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.07 -0.514 . . . . 74.02 110.856 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 ttm -87.81 -53.57 4.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.859 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.64 118.13 0.76 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.76 -0.733 . . . . 63.13 112.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -79.87 122.74 27.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 74.33 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -77.04 148.77 35.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.86 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 p -79.89 151.62 30.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 53.32 111.131 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -131.17 117.36 18.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 65.05 110.906 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 -134.09 144.05 48.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -106.08 131.43 53.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 74.4 111.15 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.03 106.96 18.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 75.33 111.046 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -96.84 142.81 28.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 45.33 110.874 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -98.2 136.51 38.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.522 -1.217 . . . . 74.15 110.851 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -134.26 122.93 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.892 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.14 133.63 36.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.893 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -87.8 107.02 18.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 74.34 110.893 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -149.85 149.34 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.31 110.804 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -128.0 143.51 51.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 74.32 110.908 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG22 ' CG2' ' B' ' 6' ' ' THR . 46.6 t -105.12 132.08 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 64.21 111.142 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.646 HG21 HD22 ' A' ' 39' ' ' LEU . 14.4 p -83.46 147.19 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 60.51 111.132 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -97.33 -56.72 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 60.2 110.902 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -175.61 164.65 3.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.905 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.1 t -74.04 134.39 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 73.52 111.099 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 HD11 ' HE3' ' A' ' 40' ' ' LYS . 7.4 mp -103.74 -52.34 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.97 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -144.46 168.7 19.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 72.54 110.839 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.9 ttt-85 -134.26 141.39 46.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 74.1 110.903 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -150.39 169.53 21.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.846 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.0 ttt -138.88 131.96 29.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 73.23 110.861 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.4 m -146.03 137.48 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 71.33 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.0 mttt 56.05 46.47 21.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.859 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.78 26.35 60.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 55.3 112.539 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -134.25 126.33 29.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 53.23 110.905 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.8 p -87.99 128.06 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 61.11 111.125 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -119.3 153.72 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 55.41 110.853 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -128.93 142.28 50.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 74.34 110.948 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -79.82 108.58 13.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 55.43 110.914 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD22 HG21 ' A' ' 22' ' ' VAL . 65.1 mt -106.75 123.96 48.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 43.11 110.922 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HE3' HD11 ' A' ' 26' ' ' LEU . 1.5 tppp? -83.77 106.75 15.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.885 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -83.74 156.82 22.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -60.0 124.67 20.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 71.51 110.891 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.56 -30.93 6.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 44.2 112.501 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.18 152.41 22.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 74.52 110.858 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -121.75 168.74 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 72.25 110.912 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.36 -24.44 29.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 64.22 110.934 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -54.02 -37.64 64.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 72.32 110.884 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -73.5 -21.62 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 64.24 110.859 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 47.04 67.51 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.42 110.829 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 32.8 p -91.5 131.48 36.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 65.21 111.205 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 70.3 m95 -117.99 151.16 38.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.5 mp0 -131.43 149.34 73.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 74.22 110.902 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.517 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.3 Cg_endo -69.78 150.72 68.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.659 2.239 . . . . 73.01 112.346 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -58.86 -42.07 88.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.888 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -53.9 -48.97 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 70.51 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -72.91 -29.21 62.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.642 HD11 HD21 ' A' ' 39' ' ' LEU . 1.1 mm? -54.44 101.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 60.53 110.954 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -101.75 54.82 0.81 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.801 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.477 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.79 80.54 2.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.577 0.704 . . . . 62.44 110.853 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -46.47 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.672 2.248 . . . . 72.43 112.402 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.406 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.96 -37.59 20.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.926 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -55.38 -42.84 74.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.1 -0.5 . . . . 61.23 110.919 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.1 mp -66.73 -47.12 83.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 61.31 111.074 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 t -52.81 -46.28 67.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 75.1 110.882 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -74.07 -44.71 53.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 71.54 110.899 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -52.54 -44.2 65.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.54 110.852 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.8 mmt -55.81 -38.41 69.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.793 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -55.48 -52.72 62.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 74.32 110.863 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -69.0 -48.64 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 61.03 110.929 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -52.15 -42.03 63.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? -50.39 -51.94 41.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 72.04 110.866 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -59.95 -47.18 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 74.41 110.905 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.5 ttm -56.17 -53.73 53.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.94 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -74.52 154.59 38.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 45.54 110.918 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -53.35 13.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 55.11 110.878 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.43 143.86 41.46 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 61.42 112.409 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -140.66 139.0 34.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 61.51 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -149.75 131.57 15.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 51.32 110.911 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -73.1 133.05 44.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 75.32 110.879 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 71.52 110.862 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 74.42 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -91.32 140.12 30.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.821 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 12.9 p -82.79 152.79 25.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 53.1 111.145 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -146.1 149.85 34.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.828 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -104.67 150.2 24.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.914 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.4 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.3 m -139.8 155.59 47.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 70.31 111.153 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.34 156.26 38.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 63.34 111.021 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -71.71 166.96 20.88 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.865 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.396 0 N-CA-C 108.901 -0.777 . . . . 74.41 108.901 -136.154 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 77.5 p -154.91 116.28 4.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.892 0.377 . . . . 72.33 110.874 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -76.98 114.47 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 62.24 111.113 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.74 55.79 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 74.01 112.475 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.1 62.48 5.63 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.815 -0.707 . . . . 74.33 112.493 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -149.94 153.38 36.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.755 0.312 . . . . 74.22 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -129.62 160.08 66.37 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.519 0.676 . . . . 73.05 111.184 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.1 Cg_endo -69.74 120.34 7.15 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.728 2.285 . . . . 74.32 112.354 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -67.56 -45.27 76.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 65.44 110.887 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 52.5 110.891 -179.828 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.529 -0.229 . . . . 73.01 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.8 p -147.45 144.8 28.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 64.31 110.869 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -83.15 -53.92 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 72.14 110.846 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp 53.9 57.15 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.43 110.855 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.94 -83.12 1.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.663 -0.779 . . . . 54.43 112.448 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm 57.14 96.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.852 0.358 . . . . 73.33 110.928 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.0 mmtm -121.38 116.82 25.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.947 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -74.78 139.9 43.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 63.11 111.157 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.4 131.33 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 73.33 110.909 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -132.86 131.19 40.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 71.03 110.907 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -80.67 124.95 29.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.074 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.11 112.09 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 70.11 111.065 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -82.14 144.38 30.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 50.43 110.893 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -67.44 136.88 55.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.538 -1.21 . . . . 71.21 110.887 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -103.38 152.93 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.803 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -126.62 129.97 49.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.86 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -130.02 -53.38 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 75.14 110.878 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' B' ' 6' ' ' THR . 6.1 tt0 -91.74 147.34 23.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.89 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -118.89 145.99 45.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.43 110.899 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.3 t -103.74 121.16 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.03 111.213 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 39' ' ' LEU . 13.8 p -66.15 149.04 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.102 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.55 -54.68 2.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.887 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.25 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 75.43 110.941 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.44 145.78 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 53.12 111.118 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 mp -115.95 -51.7 2.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 73.25 110.955 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -146.79 168.86 20.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 61.35 110.865 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -122.46 147.42 46.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 53.21 110.86 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -164.86 148.35 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.871 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.8 ttt -126.38 133.22 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 41.22 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.4 m -136.94 137.28 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 73.12 111.142 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt 56.86 43.87 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.01 110.958 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.37 27.96 63.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 63.11 112.489 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.84 126.97 40.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 74.34 110.922 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.9 134.99 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -135.35 144.03 46.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 71.13 110.894 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -129.4 137.31 50.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.917 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -76.77 105.01 7.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.882 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HB3' HG23 ' A' ' 22' ' ' VAL . 48.8 mt -107.03 135.23 48.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -91.53 108.06 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.939 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -78.16 157.0 29.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.928 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.14 119.71 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 74.31 110.912 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.26 -30.78 6.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 30.23 112.451 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -87.04 147.42 25.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 71.22 110.872 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -121.79 175.16 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.816 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.82 -22.87 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 60.32 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.45 -40.85 65.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.4 110.926 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -73.47 -20.44 60.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.073 -0.512 . . . . 62.41 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.19 66.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 53.31 110.931 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.601 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.5 p -92.43 130.5 38.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.32 111.136 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CE2' HD23 ' A' ' 38' ' ' LEU . 89.1 m95 -111.45 151.41 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.927 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.6 tp10 -131.58 135.44 26.9 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 73.51 110.897 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.511 ' O ' HD23 ' A' ' 57' ' ' LEU . 52.9 Cg_endo -69.82 156.53 62.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 52.24 112.343 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 12.1 tt0 -57.21 -48.58 78.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 43.52 110.883 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -50.35 -43.27 54.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 71.21 110.879 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -78.49 -29.43 46.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 72.11 110.95 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.2 mm? -55.49 103.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.911 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -108.66 42.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.913 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.479 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.48 82.65 1.88 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.656 0.741 . . . . 61.54 110.887 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.85 -39.58 6.17 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.69 2.26 . . . . 73.44 112.332 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' HD22 ' A' ' 62' ' ' LEU . 9.8 pt-20 -48.83 -40.77 30.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 75.45 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.516 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -56.41 -40.35 74.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.483 . . . . 73.15 110.891 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.471 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.9 mp -77.79 -45.73 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.51 111.055 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.7 m -51.57 -52.52 46.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 50.4 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.98 -46.98 85.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.04 110.844 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.7 -43.66 65.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 73.42 110.895 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 45.5 mtm -56.59 -37.41 70.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 51.51 110.873 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -55.77 -52.04 65.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.55 110.904 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -66.45 -50.04 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.23 110.933 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -53.66 -42.39 67.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 63.34 110.92 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -50.46 -51.91 42.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.856 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -58.31 -42.8 87.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 71.3 110.926 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 5.0 ttm -52.8 -53.49 47.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 72.1 110.861 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.9 mmtp -72.68 147.97 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.911 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -81.37 122.24 27.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.936 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -173.77 -69.29 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 71.03 112.51 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 58.3 98.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 60.54 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -122.79 136.67 54.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 72.23 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -84.17 146.01 28.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 64.31 110.957 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 73.11 110.874 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.81 0.338 . . . . 64.24 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -77.84 143.83 37.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 72.22 110.9 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.88 143.8 51.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.22 111.193 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -144.09 122.96 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 75.05 110.947 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.12 104.83 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.13 110.91 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.5 m -120.55 147.47 45.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 73.5 111.162 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.93 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 71.32 111.155 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.431 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 23.3 ttt180 -89.07 169.96 11.05 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.059 0.457 . . . . 73.2 110.905 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . 0.431 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.507 2.383 0 N-CA-C 108.892 -0.781 . . . . 74.43 108.892 -136.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 54.0 p -154.75 126.12 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.944 0.402 . . . . 73.44 110.888 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -68.2 136.77 54.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 73.32 111.132 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.94 -103.53 0.22 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 53.25 112.455 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.32 69.38 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.779 -0.724 . . . . 72.44 112.48 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.7 114.58 11.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 72.42 110.886 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -83.77 160.11 59.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.743 . . . . 73.41 111.074 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.2 Cg_endo -69.65 128.68 16.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.791 2.327 . . . . 74.35 112.349 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -72.68 -53.6 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.859 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.13 110.916 -179.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.557 -0.217 . . . . 70.42 112.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 58.2 m -104.85 120.41 41.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.856 0.36 . . . . 64.45 110.894 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -140.49 112.91 7.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.819 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtp -83.62 -53.53 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 75.3 110.854 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.39 74.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.674 -0.774 . . . . 71.34 112.502 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -101.34 109.13 20.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 75.31 110.927 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 137.64 18.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 74.05 110.91 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -134.19 123.18 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 45.52 111.142 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.13 115.3 3.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.861 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -151.55 121.09 6.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 70.54 110.841 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 m -132.05 132.74 43.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 64.42 111.16 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.76 124.88 44.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 64.1 111.127 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -146.21 111.62 5.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 71.02 110.82 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.03 158.5 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.605 -1.179 . . . . 71.41 110.882 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.24 107.94 0.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 65.4 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -63.4 155.24 29.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.499 . . . . 73.43 110.924 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -106.52 -51.98 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 65.22 110.837 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.417 ' HG2' HG22 ' B' ' 6' ' ' THR . 15.5 tt0 -79.32 138.05 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 62.42 110.864 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -116.29 151.44 35.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 75.44 110.894 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 HG23 ' B' ' 6' ' ' THR . 48.7 t -105.24 142.6 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 75.45 111.179 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 39' ' ' LEU . 47.9 t -86.01 140.13 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.31 111.201 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -96.15 -55.26 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 73.23 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.5 164.57 2.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 60.45 110.91 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 63' ' ' ILE . 60.9 t -69.83 145.08 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.41 111.172 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD21 ' HE2' ' A' ' 40' ' ' LYS . 7.0 mp -118.16 -51.61 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 75.13 110.897 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -149.56 171.15 17.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 65.3 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -141.71 140.16 33.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.89 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -148.61 161.18 42.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 65.22 110.868 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.5 ttt -138.59 125.97 21.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 72.31 110.867 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.2 m -145.74 137.34 19.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 44.14 111.12 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 56.92 46.4 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.898 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.28 27.18 62.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.808 -0.71 . . . . 64.43 112.5 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -133.83 126.41 30.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 53.33 110.895 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.76 133.64 43.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 53.34 111.164 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -127.33 147.76 50.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.826 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -121.73 132.23 54.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 74.02 110.942 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.22 109.17 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 75.31 110.839 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD21 HD11 ' A' ' 57' ' ' LEU . 69.8 mt -107.96 164.14 12.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 71.1 110.926 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HE2' HD21 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -111.75 107.34 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 72.42 110.9 179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CD1' HM23 ' B' ' 9' ' ' M3L . 46.5 m95 -78.82 158.08 28.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.879 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -54.36 130.62 39.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.54 110.927 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 65.84 26.79 72.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 62.32 112.531 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -136.35 148.48 47.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 72.21 110.862 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.8 m -122.01 174.27 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 51.5 110.887 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -20.39 35.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.843 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -53.35 -40.22 64.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 74.21 110.906 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.9 m-70 -73.27 -20.62 60.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 75.22 110.879 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 48.87 67.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.854 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.641 ' O ' HD22 ' A' ' 38' ' ' LEU . 35.2 p -92.54 130.93 38.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.175 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.656 ' CE2' HD23 ' A' ' 38' ' ' LEU . 94.9 m95 -112.28 146.15 38.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 73.1 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -131.62 143.3 48.61 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.725 0.774 . . . . 74.22 110.868 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.74 154.44 67.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.751 2.301 . . . . 74.13 112.344 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.38 -42.59 87.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 71.44 110.863 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -54.88 -48.99 72.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 63.22 110.946 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -73.48 -29.02 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.562 HD11 HD21 ' A' ' 39' ' ' LEU . 0.9 OUTLIER -51.97 102.67 0.05 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.176 -0.466 . . . . 74.33 110.991 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -102.32 45.74 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.22 110.773 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 m -152.87 75.55 6.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.654 0.74 . . . . 74.22 110.923 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.93 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.264 . . . . 73.21 112.35 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.512 ' HG3' HD22 ' A' ' 62' ' ' LEU . 3.5 pt-20 -51.67 -43.31 62.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 63.35 110.944 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.4 mm? -57.79 -31.34 66.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.887 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.656 HD13 HG21 ' A' ' 25' ' ' VAL . 6.8 mm -70.04 -44.36 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 65.11 111.147 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 29.2 t -56.95 -51.51 68.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 70.14 110.884 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -63.54 -43.15 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 64.32 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -55.97 -43.36 77.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 34.4 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.5 mtt -57.53 -33.7 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 61.2 110.869 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -56.83 -51.26 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 64.35 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -67.55 -51.67 47.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 45.15 110.854 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -52.96 -43.88 66.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.971 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -50.38 -51.84 42.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 54.05 110.938 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 mmtp -57.55 -41.89 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.12 110.93 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.6 tpt -54.51 -53.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 55.23 110.887 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 mmtp -74.19 153.8 39.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 70.21 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -77.35 115.25 16.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -152.07 -104.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.806 -0.711 . . . . 61.1 112.516 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -93.14 151.16 20.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 74.52 110.888 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -99.67 149.92 22.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.45 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -159.49 111.16 2.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 72.42 110.913 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.956 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 71.2 111.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 68.7 mtt85 -154.74 139.33 16.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 53.34 110.945 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -109.55 145.6 36.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 54.03 111.118 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 30.3 tttm -167.39 152.58 7.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 70.25 110.86 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -81.78 142.74 32.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 72.02 110.911 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 21' ' ' VAL . 1.8 m -160.74 153.8 21.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 52.41 111.154 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.79 167.04 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 63.31 111.145 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -107.66 166.58 10.58 Favored 'General case' 0 C--O 1.244 0.768 0 CA-C-O 121.002 0.43 . . . . 75.32 110.914 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . 0.415 HM23 ' CD1' ' A' ' 41' ' ' TRP . . . . . . . . 0 N--CA 1.507 2.378 0 N-CA-C 108.893 -0.78 . . . . 74.55 108.893 -136.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p -158.83 113.1 2.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.921 0.391 . . . . 73.52 110.897 -178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 29.1 p -109.3 137.84 46.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 64.12 111.13 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.92 96.07 1.23 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 72.41 112.489 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.72 -112.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.746 . . . . 61.41 112.529 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -102.75 100.47 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.757 0.313 . . . . 64.45 110.839 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -167.46 160.36 10.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.593 0.711 . . . . 50.33 111.095 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.1 Cg_endo -69.76 136.82 33.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.714 2.276 . . . . 74.13 112.327 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 ttp180 -78.12 -53.76 7.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.891 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 50.9 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 62.42 110.935 -179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.496 -0.242 . . . . 63.31 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 64.2 p -164.95 109.48 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.914 0.388 . . . . 75.31 110.91 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -155.26 104.84 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 71.32 110.869 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.3 mmm -70.49 172.44 8.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.873 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.96 88.25 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 75.1 112.502 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -57.55 122.34 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.381 . . . . 75.12 110.929 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -137.38 133.77 35.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.88 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -150.51 117.19 5.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 74.22 111.154 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.76 108.85 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.25 110.936 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -164.53 154.11 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 53.22 110.931 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -136.25 126.67 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.22 111.121 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.97 109.3 22.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.086 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 63.45 110.844 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.71 135.64 46.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.49 -1.232 . . . . 55.33 110.81 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -101.01 138.42 38.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.077 -0.51 . . . . 74.43 110.888 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -127.15 139.39 53.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 62.4 110.889 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 54.3 54.86 8.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.2 110.869 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.599 ' HG2' HG22 ' B' ' 6' ' ' THR . 18.0 tt0 -91.0 154.96 19.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.851 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.402 ' CD1' HM22 ' B' ' 9' ' ' M3L . 21.1 m-85 -120.29 153.93 35.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.884 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.9 t -105.72 125.16 61.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.42 111.074 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 39' ' ' LEU . 13.5 p -76.28 142.07 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 75.33 111.093 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -97.91 -55.98 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 74.25 110.862 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.31 164.56 3.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.897 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.6 t -74.7 131.65 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 54.23 111.11 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.642 HD11 ' HE2' ' A' ' 40' ' ' LYS . 7.8 mp -99.14 -50.03 4.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 73.44 110.943 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -148.97 168.37 23.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.889 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -131.5 142.77 50.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 73.53 110.868 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -153.71 171.18 19.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.875 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 2.9 ttt -139.3 133.84 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.878 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.97 137.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 62.15 111.188 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 56.48 46.65 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.61 25.95 59.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 63.01 112.5 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -134.33 126.15 29.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.802 0.334 . . . . 73.43 110.865 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 35' ' ' VAL . 13.0 p -85.32 126.92 40.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 75.15 111.125 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -118.15 155.27 30.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 75.25 110.927 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -130.2 144.47 51.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.924 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.54 113.49 20.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 65.31 110.948 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 22' ' ' VAL . 49.6 mt -109.36 126.83 53.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.945 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' HE2' HD11 ' A' ' 26' ' ' LEU . 7.7 tppt? -83.26 107.13 15.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 64.14 110.916 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 35.4 m95 -87.4 156.33 19.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 60.34 110.88 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.93 119.85 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.886 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.96 -30.77 6.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 52.35 112.53 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -85.5 146.5 26.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 75.51 110.881 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -121.61 170.95 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -55.61 -24.25 32.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -53.4 -40.69 65.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.24 110.866 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -73.51 -21.17 60.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 73.25 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.6 m120 49.04 66.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 71.3 110.919 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.626 ' O ' HD22 ' A' ' 38' ' ' LEU . 34.6 p -91.49 130.08 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 55.14 111.185 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.612 ' CE2' HD23 ' A' ' 38' ' ' LEU . 66.2 m95 -119.4 153.35 35.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG3' HD12 ' A' ' 39' ' ' LEU . 7.2 mm-40 -131.18 151.23 78.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 73.21 110.873 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.531 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.8 Cg_endo -69.73 145.72 58.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 74.33 112.409 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -57.1 -41.42 78.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 73.51 110.893 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -53.42 -48.95 68.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 74.2 110.859 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -72.8 -29.41 63.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -55.7 100.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 65.34 110.896 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -103.31 55.2 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.33 110.894 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.444 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -160.33 82.27 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 74.14 110.873 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.76 -44.58 2.0 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.724 2.282 . . . . 62.45 112.307 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -48.69 -38.62 21.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 64.34 110.966 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.7 mm? -55.85 -42.42 75.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 74.21 110.909 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.4 mp -70.05 -47.31 69.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 72.33 111.161 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -51.78 -48.05 63.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 62.14 110.868 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.9 -45.05 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 64.24 110.892 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -52.68 -43.77 65.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.876 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.45 -36.91 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 64.25 110.868 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -55.92 -51.81 66.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.936 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.02 -50.42 62.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 71.25 110.86 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -53.21 -44.62 68.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 71.41 110.979 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -50.43 -51.67 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 65.25 110.944 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -57.46 -41.63 80.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.02 110.928 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 18.7 ttm -53.33 -53.4 51.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 61.3 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -84.56 164.53 18.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 63.03 110.942 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -71.2 -53.59 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 75.44 110.906 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.77 158.91 6.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 73.43 112.514 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.04 151.72 51.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.944 0.402 . . . . 74.22 110.838 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.91 54.92 9.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 63.32 110.919 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -90.86 154.58 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.491 . . . . 72.45 110.852 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.43 110.984 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.843 0.354 . . . . 62.22 111.081 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -82.82 -53.46 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.835 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -86.68 154.45 20.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.255 -0.429 . . . . 53.33 111.134 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -134.58 108.47 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.95 120.07 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 73.45 110.939 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.599 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.2 m -161.49 141.87 10.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 73.53 111.126 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.56 153.44 39.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 52.24 111.064 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.496 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 44.9 ttp85 -110.49 152.1 26.75 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-N 116.188 -0.46 . . . . 61.11 110.886 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . 0.496 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.506 2.346 0 N-CA-C 108.907 -0.775 . . . . 72.24 108.907 -136.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -154.48 123.98 6.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 73.34 110.852 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -71.35 129.46 38.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 61.33 111.157 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.21 -113.02 4.45 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 42.14 112.498 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.14 72.69 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.73 -0.747 . . . . 70.41 112.543 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.59 117.66 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 73.3 110.85 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -112.62 77.28 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.541 0.686 . . . . 73.31 111.131 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -47.91 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.703 2.268 . . . . 73.03 112.349 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -133.97 127.19 31.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 64.31 110.94 -179.856 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 32.33 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.3 p -147.77 125.69 12.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.959 0.409 . . . . 52.11 110.872 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -148.98 109.19 4.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.11 -0.495 . . . . 73.33 110.839 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptm -163.6 149.01 11.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 75.03 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.41 65.55 2.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 73.32 112.549 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -100.21 123.87 44.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.818 0.342 . . . . 63.23 110.897 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -157.99 138.91 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 74.45 110.92 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -78.38 127.26 31.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 62.33 111.163 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -108.35 135.89 48.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 74.32 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -132.61 123.2 25.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 75.34 110.868 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.8 p -136.37 132.17 35.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.55 111.184 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.14 106.42 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 64.51 111.141 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.07 111.68 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.15 110.847 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -60.32 135.49 57.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 63.42 110.896 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -106.36 148.51 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 51.54 110.923 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -106.48 152.67 23.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.31 110.904 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -123.45 104.16 8.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 71.33 110.882 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' B' ' 6' ' ' THR . 14.9 tt0 -149.87 155.57 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 60.34 110.878 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -130.1 147.91 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.962 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.4 t -105.55 142.7 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 63.43 111.075 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 39' ' ' LEU . 46.4 t -90.02 145.18 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 53.3 111.117 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -97.18 -55.41 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.71 159.64 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.832 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.7 t -69.78 146.8 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 54.21 111.136 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 38' ' ' LEU . 60.6 mt -118.07 -48.91 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 74.04 110.954 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -146.35 159.81 42.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.915 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -125.42 133.52 52.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 72.12 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -147.74 169.42 19.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 64.31 110.875 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.8 ttt -136.08 140.0 43.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.14 110.876 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.3 m -145.89 137.06 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.22 111.127 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.0 mttt 54.83 45.82 25.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 65.2 110.855 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.21 27.5 62.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.799 -0.715 . . . . 45.21 112.434 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -131.94 126.4 34.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 72.24 110.925 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -79.75 128.86 38.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 75.44 111.142 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -126.57 145.84 50.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 62.11 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' CE2' HG12 ' A' ' 35' ' ' VAL . 34.5 m-85 -123.01 148.09 45.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.878 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.676 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.66 109.09 17.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 75.3 110.917 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 22' ' ' VAL . 61.9 mt -109.07 119.55 39.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.898 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.407 ' HD3' HD11 ' A' ' 26' ' ' LEU . 8.0 ttpp -79.92 106.85 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.918 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -78.8 156.9 28.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.939 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -54.33 130.31 38.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 73.33 110.913 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.04 26.64 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 72.51 112.517 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -142.49 149.02 38.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.857 0.36 . . . . 61.22 110.887 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -121.82 174.96 6.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 73.01 110.82 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -58.85 -19.35 40.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 71.23 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -53.35 -40.6 65.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.887 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -73.37 -20.05 60.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.869 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.3 m120 49.57 66.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.254 -0.43 . . . . 73.14 110.871 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.4 p -93.01 130.55 38.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 73.23 111.132 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.3 m95 -118.88 151.94 37.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 60.4 110.918 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.51 ' HB2' HD12 ' A' ' 39' ' ' LEU . 6.4 mp0 -131.25 152.98 81.52 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.641 0.734 . . . . 71.05 110.87 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.472 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.85 127.22 14.21 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 60.32 112.335 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -55.48 -37.05 67.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 64.33 110.902 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -53.75 -31.33 48.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 75.12 110.893 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.13 -29.15 15.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 45.04 110.878 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 HD11 HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -49.15 103.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 75.01 110.915 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -104.29 48.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.915 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' HB3' HD23 ' A' ' 62' ' ' LEU . 2.1 m -154.42 82.7 4.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.525 0.679 . . . . 74.1 110.865 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -40.04 5.83 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.727 2.284 . . . . 62.4 112.37 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.3 pt-20 -48.6 -40.93 29.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.951 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' HB3' HG23 ' A' ' 25' ' ' VAL . 3.8 mm? -56.82 -40.62 76.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 75.32 110.921 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.4 mp -74.44 -45.56 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 62.04 111.136 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.3 t -51.3 -48.77 62.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 63.24 110.859 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -71.21 -39.59 71.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 70.5 110.899 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -52.62 -45.21 66.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.14 110.85 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.07 -37.78 75.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.432 . . . . 71.42 110.846 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -59.01 -52.71 64.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 62.02 110.924 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -64.87 -49.67 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 34.52 110.921 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -53.32 -42.77 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 71.14 110.876 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -50.25 -52.3 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.894 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -59.31 -47.04 86.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.883 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -53.84 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 63.42 110.843 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -72.93 149.02 43.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.41 . . . . 52.31 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -129.32 110.89 12.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 72.14 110.859 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.76 -151.15 5.82 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 70.34 112.49 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -81.05 149.81 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 52.43 110.943 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -74.98 107.69 7.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -107.9 144.87 34.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 64.14 110.866 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 73.2 110.833 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.755 0.312 . . . . 74.44 111.117 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -142.09 133.05 25.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 28.5 p -96.83 137.45 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 74.43 111.158 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.4 ' HE3' HG11 ' A' ' 21' ' ' VAL . 41.9 tttt -119.48 109.04 15.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.917 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -105.66 104.04 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.34 110.869 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.1 m -101.31 145.61 28.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 75.23 111.144 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.52 151.57 38.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.071 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -73.03 157.65 36.96 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.085 0.469 . . . . 73.42 110.841 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.361 0 N-CA-C 108.95 -0.759 . . . . 74.32 108.95 -136.152 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 12.3 p -154.77 147.39 24.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.958 0.409 . . . . 71.34 110.883 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 21.2 p -61.35 113.19 2.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 74.1 111.15 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -154.12 -131.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 72.43 112.46 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.36 103.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 75.14 112.552 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -154.47 126.19 7.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 63.33 110.885 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -162.68 160.39 19.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.583 0.706 . . . . 61.1 111.128 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.2 Cg_endo -69.76 153.51 68.83 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.237 . . . . 73.3 112.356 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -95.9 112.2 23.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.89 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.6 t80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.224 -0.444 . . . . 65.0 110.939 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.46 -0.256 . . . . 61.24 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 1.3 t -103.52 124.76 49.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 62.01 110.878 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -133.5 108.18 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 70.45 110.83 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ptp -164.77 122.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 70.41 110.875 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.65 59.41 7.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 75.23 112.46 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -93.43 111.68 23.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 73.35 110.916 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -74.39 120.43 19.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.865 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m -71.12 149.57 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.12 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -107.14 143.57 35.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.891 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -144.67 151.64 39.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.2 t -102.24 137.09 40.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 62.32 111.189 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.22 121.1 2.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.071 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -133.59 125.5 28.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.822 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -156.97 142.36 17.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.577 -1.192 . . . . 74.21 110.869 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -91.74 132.44 36.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 63.01 110.918 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -134.16 116.34 15.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.885 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -108.06 55.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 64.13 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -102.66 154.87 18.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 72.31 110.876 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -122.35 143.0 49.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.02 110.954 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 HG22 HG21 ' B' ' 6' ' ' THR . 38.0 t -105.64 144.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 75.31 111.084 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.591 HG21 HD22 ' A' ' 39' ' ' LEU . 14.5 p -93.55 147.32 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 71.35 111.061 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -93.37 -56.78 2.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 63.45 110.884 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 164.56 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 50.31 110.962 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 62' ' ' LEU . 63.7 t -69.4 127.5 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 72.44 111.104 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 38' ' ' LEU . 32.0 mt -94.54 -46.32 7.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 72.05 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -158.02 167.15 30.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.925 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.0 ttt180 -124.28 147.71 47.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 73.31 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -161.78 163.01 29.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.84 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -125.69 132.02 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.896 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -138.24 136.99 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 74.52 111.127 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.1 mttt 54.83 46.08 25.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.868 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.43 27.22 63.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.687 -0.768 . . . . 71.42 112.48 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -131.19 138.03 49.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 73.12 110.912 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 37' ' ' TYR . 32.8 t -86.62 110.99 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 43.21 111.116 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -110.77 151.49 27.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.87 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 35' ' ' VAL . 30.6 m-85 -126.75 150.64 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 74.14 110.873 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.695 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -85.7 116.03 23.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.939 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD22 HG21 ' A' ' 22' ' ' VAL . 54.7 mt -115.34 120.97 41.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 44.5 110.942 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -86.11 107.06 17.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 53.13 110.895 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -80.89 156.91 25.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 65.24 110.957 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.14 123.09 11.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 72.11 110.914 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.12 -30.41 7.17 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.761 -0.733 . . . . 53.34 112.469 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -92.52 149.14 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 75.3 110.833 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.7 m -121.7 174.39 6.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 54.32 110.849 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' HB2' HD13 ' A' ' 26' ' ' LEU . 35.1 tt0 -58.08 -20.17 37.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 55.03 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.58 -40.52 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 63.42 110.921 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -73.44 -20.36 60.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 72.43 110.822 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 49.89 66.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.424 . . . . 71.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.62 ' O ' HD22 ' A' ' 38' ' ' LEU . 23.5 p -92.94 131.46 37.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.106 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CE2' HD23 ' A' ' 38' ' ' LEU . 81.7 m95 -118.47 147.57 43.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.48 ' HB2' HD12 ' A' ' 39' ' ' LEU . 75.5 mm-40 -131.56 149.38 73.34 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 73.11 110.88 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' O ' HD23 ' A' ' 57' ' ' LEU . 54.0 Cg_endo -69.67 158.37 57.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 53.54 112.383 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -58.49 -46.41 86.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 43.14 110.887 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -51.87 -42.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 73.24 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -78.12 -29.33 48.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 53' ' ' PRO . 1.5 mm? -55.88 100.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.903 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -101.4 45.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 73.31 110.89 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.499 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.5 m -156.15 75.03 4.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 74.54 110.824 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -48.62 0.69 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.748 2.298 . . . . 71.2 112.295 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.1 pt-20 -49.11 -36.89 20.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.873 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.5 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.2 mm? -53.85 -44.41 70.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.02 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -64.99 -42.28 94.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.42 111.115 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.7 m -51.37 -49.5 61.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 65.5 110.869 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.26 -42.43 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 52.41 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -52.68 -45.36 66.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.875 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.3 mmt -55.79 -36.62 67.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 74.3 110.874 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -58.73 -51.6 69.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.891 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mttm -66.76 -51.76 52.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 75.12 110.901 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -54.09 -43.98 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.918 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -50.67 -52.02 43.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 72.22 110.899 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -57.35 -40.4 77.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 73.54 110.915 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.6 tpp -53.57 -54.83 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.874 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.69 134.25 40.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 64.42 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -96.53 -53.52 3.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.823 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.79 -66.38 1.94 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 75.54 112.466 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -130.13 125.3 34.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.869 0.366 . . . . 74.14 110.898 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -137.05 128.9 29.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.931 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -105.93 130.13 53.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.974 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 71.32 110.905 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.78 0.324 . . . . 44.44 111.092 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -83.66 149.16 26.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.892 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 22.4 p -118.27 110.32 17.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 64.24 111.095 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 pttm -92.6 152.18 19.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -108.58 147.34 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 61.44 110.968 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.406 HG21 HG22 ' A' ' 21' ' ' VAL . 3.9 m -139.4 153.45 47.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.129 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.56 151.25 24.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 43.35 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -78.34 161.41 27.22 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.035 0.445 . . . . 72.12 110.82 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.899 -0.778 . . . . 74.24 108.899 -136.19 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -99.03 106.04 18.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 64.54 110.844 -178.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -108.73 133.69 52.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 74.21 111.182 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.1 -63.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 70.23 112.54 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 59.9 -136.25 50.16 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 63.21 112.473 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -146.47 136.94 23.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 72.1 110.855 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.566 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -74.09 160.19 82.22 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.484 0.659 . . . . 73.31 111.169 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.566 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.6 Cg_endo -69.82 151.57 68.78 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.738 2.292 . . . . 62.24 112.276 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -71.48 145.94 48.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.816 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 70.44 110.903 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.492 -0.243 . . . . 71.02 112.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 35.3 m -134.42 127.29 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.957 0.408 . . . . 74.5 110.84 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -97.41 151.35 20.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 75.43 110.797 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 ttp 54.11 54.94 8.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.94 59.28 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.689 -0.767 . . . . 72.23 112.494 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -73.42 135.33 44.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 75.52 110.922 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -80.66 139.61 36.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 71.24 110.83 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -151.04 126.24 9.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.182 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -131.2 114.07 14.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 42.51 110.866 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -152.58 111.79 3.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 52.42 110.893 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -131.19 113.51 13.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 55.3 111.157 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.96 113.35 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 75.31 111.088 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.78 119.16 4.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 65.51 110.848 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.08 147.27 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.566 -1.197 . . . . 53.32 110.88 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -149.42 147.75 28.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 53.15 110.874 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -97.56 152.16 19.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 71.42 110.911 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -165.2 123.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 55.33 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -148.05 153.7 39.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 73.12 110.9 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -124.49 140.22 53.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.51 110.877 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG22 ' CG2' ' B' ' 6' ' ' THR . 47.1 t -105.66 146.4 12.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 42.34 111.15 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.623 HG11 HD22 ' A' ' 39' ' ' LEU . 58.2 t -92.61 144.2 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 73.42 111.214 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -90.86 -56.86 3.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.901 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.39 164.98 2.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 71.43 110.91 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.417 ' O ' HG13 ' A' ' 25' ' ' VAL . 8.5 p -71.2 125.62 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 70.22 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.51 -53.56 3.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.963 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.78 172.64 13.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.855 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -137.72 145.11 42.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 65.52 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -149.81 167.9 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.855 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 4.6 ttt -139.05 126.09 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.54 110.856 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.3 m -145.88 137.7 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 74.11 111.132 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt 58.72 45.89 15.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.916 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.58 26.94 60.53 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.632 -0.794 . . . . 61.35 112.54 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.35 136.95 41.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.374 . . . . 74.12 110.922 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.99 129.25 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.177 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -118.52 156.07 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 71.14 110.877 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -130.69 135.99 48.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 74.33 110.874 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -77.56 104.81 8.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 64.33 110.879 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.623 HD22 HG11 ' A' ' 22' ' ' VAL . 39.7 mt -107.24 124.71 50.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.937 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -84.63 115.67 22.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 54.11 110.936 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -88.28 158.14 18.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 73.14 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -53.79 134.29 42.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.889 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.55 26.41 74.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.499 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -143.2 148.97 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 75.04 110.879 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -121.9 174.61 6.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.816 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -59.18 -18.79 39.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 71.5 110.848 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.84 -39.7 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 61.44 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -72.95 -19.87 61.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 53.15 110.827 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.1 m120 49.94 66.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 54.32 110.93 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 20.1 p -92.52 130.88 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.15 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 79.9 m95 -117.89 149.86 40.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.51 110.962 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' CB ' HD12 ' A' ' 39' ' ' LEU . 35.9 tt0 -131.49 136.88 29.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 61.42 110.903 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.489 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.78 150.02 67.57 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.645 2.23 . . . . 72.35 112.39 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -51.57 -43.98 62.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 72.42 110.911 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -52.07 -28.3 16.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 72.2 110.915 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.32 -29.96 14.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.45 110.882 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 53' ' ' PRO . 4.0 mm? -58.16 105.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 63.01 110.892 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -109.76 42.48 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.92 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -159.1 84.45 2.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 72.34 110.933 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -39.94 5.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.284 . . . . 71.34 112.314 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' HG3' HD22 ' A' ' 62' ' ' LEU . 12.4 pt-20 -48.68 -41.39 31.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 61.23 110.942 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 61' ' ' GLU . 4.2 mm? -55.82 -40.83 73.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 71.44 110.857 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -74.85 -45.81 42.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.45 111.135 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.1 t -51.71 -51.87 52.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.02 110.858 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -63.08 -49.6 73.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.92 -42.33 65.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 75.2 110.868 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.1 mtt -55.39 -38.09 68.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 55.44 110.941 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -57.64 -52.76 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.45 110.943 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -62.09 -51.89 66.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.22 110.907 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.12 -42.01 72.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.295 -0.411 . . . . 75.22 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -50.6 -51.99 43.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.06 -0.518 . . . . 73.04 110.878 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -46.6 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 53.1 110.821 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.7 ttm -55.67 -53.48 56.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 40.5 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -75.19 153.08 38.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 64.55 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -97.76 113.16 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 75.4 110.92 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.18 121.36 0.57 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.682 -0.771 . . . . 71.24 112.417 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -138.54 140.96 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 72.14 110.849 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -77.56 -53.46 7.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.912 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.6 p30 -154.52 148.03 25.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 52.42 110.904 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 73.34 110.877 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.765 0.317 . . . . 74.35 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -104.8 129.37 53.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.854 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 21.6 p -124.6 139.83 53.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 73.44 111.081 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -121.93 113.41 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 63.4 110.865 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -63.77 106.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.937 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 21' ' ' VAL . 4.6 m -122.59 157.15 32.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 60.04 111.189 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -163.0 151.55 14.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 60.53 111.05 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -66.56 162.78 20.13 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 116.225 -0.443 . . . . 64.42 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.377 0 N-CA-C 108.877 -0.786 . . . . 74.35 108.877 -136.087 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 11.8 p -155.52 123.34 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 63.45 110.837 -178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 151.83 27.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 60.23 111.169 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -139.59 54.74 0.66 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.713 -0.756 . . . . 72.14 112.509 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -61.38 6.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 72.32 112.481 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.2 tttm -89.33 128.05 35.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.755 0.312 . . . . 71.12 110.928 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.88 77.2 0.46 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.588 0.709 . . . . 60.34 111.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.634 2.223 . . . . 72.1 112.366 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -76.91 131.13 38.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.929 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.45 110.893 -179.854 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.494 -0.243 . . . . 72.53 112.494 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.0 m -105.15 153.69 21.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 72.44 110.87 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -71.69 108.12 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 75.04 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mmm -90.52 -53.68 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.49 105.55 0.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 73.43 112.464 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -82.56 153.73 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 65.3 110.939 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -128.32 116.72 20.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.293 -0.412 . . . . 71.45 110.869 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 p -143.51 140.65 30.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 53.43 111.157 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -164.94 126.63 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 61.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -132.44 136.96 47.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 75.31 110.861 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 t -135.97 137.47 41.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.448 . . . . 51.25 111.187 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.23 143.8 25.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 75.21 111.151 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -159.51 112.61 2.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.862 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -156.1 166.52 33.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.493 -1.231 . . . . 64.45 110.913 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.59 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.37 165.01 11.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 75.42 110.881 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -94.0 39.71 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 70.24 110.903 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HG2' HG22 ' B' ' 6' ' ' THR . 12.7 tt0 -100.05 134.99 42.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 54.31 110.903 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -114.51 149.96 35.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.936 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.554 HG23 ' CE ' ' A' ' 42' ' ' LYS . 66.7 t -106.18 131.37 56.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 73.41 111.137 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG21 HD22 ' A' ' 39' ' ' LEU . 10.5 p -72.68 142.98 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 63.54 111.167 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.76 -54.56 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 63.32 110.847 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.79 164.1 1.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.913 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.459 ' H ' HD12 ' A' ' 62' ' ' LEU . 12.2 p -78.72 144.55 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.142 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 38' ' ' LEU . 47.6 mt -118.09 -51.36 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.838 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.58 165.86 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 72.12 110.949 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -125.89 149.11 48.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 73.31 110.869 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.8 tpm_? -162.01 149.26 14.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 65.41 110.864 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 6.9 ttt -125.2 138.22 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.43 110.857 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.7 m -146.18 137.14 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 65.33 111.113 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 91.2 mttt 55.5 47.04 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.879 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.2 26.93 62.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 50.23 112.448 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -128.0 126.48 41.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 72.32 110.918 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.473 HG12 ' CE2' ' A' ' 37' ' ' TYR . 38.6 t -86.0 112.11 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.14 111.116 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.84 147.57 34.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 63.21 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CE2' HG12 ' A' ' 35' ' ' VAL . 60.4 m-85 -125.72 147.1 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.884 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.711 HD12 HD12 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -82.51 107.48 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 73.13 110.95 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' GLU . 70.9 mt -107.64 133.96 51.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.429 . . . . 71.32 110.921 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -90.18 110.53 21.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.3 110.911 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -84.44 158.05 21.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 74.12 110.901 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.554 ' CE ' HG23 ' A' ' 21' ' ' VAL . 12.7 ptpt -53.26 116.73 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.44 110.891 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.81 -30.74 6.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 65.23 112.499 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -85.62 144.12 28.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.838 0.351 . . . . 73.21 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.6 m -121.84 175.5 6.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 61.22 110.855 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 26' ' ' LEU . 19.1 tt0 -55.35 -24.05 27.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.109 -0.496 . . . . 73.42 110.881 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -53.44 -41.2 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.843 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -73.43 -19.82 60.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 75.04 110.863 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.4 m120 51.1 66.61 1.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 74.32 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.617 ' O ' HD22 ' A' ' 38' ' ' LEU . 21.1 p -92.64 131.96 37.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 65.42 111.136 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CE2' HD23 ' A' ' 38' ' ' LEU . 85.7 m95 -119.0 148.87 42.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 70.12 110.856 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HB2' HD12 ' A' ' 39' ' ' LEU . 11.9 mm-40 -131.46 146.07 60.36 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.689 0.756 . . . . 64.51 110.858 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.1 Cg_endo -69.74 151.77 69.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 61.22 112.356 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.76 -44.12 81.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 71.11 110.892 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -51.86 -30.98 25.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 74.44 110.815 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -90.43 -29.58 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 73.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 53' ' ' PRO . 3.1 mm? -55.15 100.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -105.19 44.22 1.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 44.1 110.883 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.501 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.29 82.27 2.8 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.642 0.734 . . . . 64.44 110.871 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -40.61 5.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.272 . . . . 61.01 112.319 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD22 ' A' ' 62' ' ' LEU . 13.2 pt-20 -48.82 -40.82 30.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.861 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.2 mm? -55.7 -41.18 73.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.903 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.7 mp -74.54 -46.52 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 72.22 111.122 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.8 t -54.91 -51.58 65.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 72.44 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -66.07 -51.44 58.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 74.3 110.864 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' CD1' HG13 ' A' ' 25' ' ' VAL . 64.7 t80 -52.77 -41.64 64.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 44.03 110.879 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.9 mtp -55.01 -36.34 65.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 73.4 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.27 -52.53 64.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.34 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -51.45 68.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.919 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -54.99 -42.34 72.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.23 110.919 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -50.33 -51.68 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 75.21 110.966 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -60.34 -46.99 87.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 65.33 110.909 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.9 tpt -56.16 -53.55 55.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.892 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -72.03 153.67 41.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.901 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -121.6 118.41 29.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 74.45 110.864 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 62.22 112.417 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -111.32 153.54 25.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 75.45 110.875 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -138.67 119.99 14.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 61.21 110.937 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -163.14 153.75 16.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 65.13 110.923 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 72.2 110.909 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.806 0.336 . . . . 45.13 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -99.42 153.19 19.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 74.31 110.86 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p -59.26 128.16 35.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 61.11 111.133 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -139.9 153.69 47.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 53.43 110.85 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -68.66 107.58 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 73.4 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.461 ' CG2' HG22 ' A' ' 21' ' ' VAL . 2.9 m -132.01 146.97 52.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 62.43 111.178 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -157.82 154.62 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.314 -0.403 . . . . 72.51 111.142 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -90.64 172.87 8.37 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.085 0.469 . . . . 74.11 110.841 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.359 0 N-CA-C 108.953 -0.758 . . . . 62.12 108.953 -136.121 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 8.1 p -155.65 113.21 3.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 63.44 110.864 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.4 m -59.89 130.89 48.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.136 -0.484 . . . . 60.24 111.196 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.97 -158.55 50.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 62.34 112.457 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.69 124.27 7.44 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.723 -0.751 . . . . 74.42 112.43 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -70.07 108.26 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 71.53 110.919 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -162.3 160.07 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 73.54 111.102 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.4 Cg_endo -69.72 -47.96 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.247 . . . . 54.24 112.358 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -72.3 131.4 42.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 75.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 23.6 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.862 -179.843 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.53 -0.228 . . . . 61.05 112.53 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.9 m -145.19 134.64 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 64.14 110.874 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -158.24 127.8 5.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 73.24 110.881 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.6 mtp -128.82 110.47 12.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 64.34 110.931 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.95 -61.05 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.814 -0.708 . . . . 52.35 112.473 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt 56.11 95.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.889 0.376 . . . . 64.42 110.876 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -118.37 120.0 36.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.851 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -157.2 129.33 7.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.16 -0.473 . . . . 72.01 111.11 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -79.67 123.05 27.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.874 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -150.72 153.39 35.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 53.31 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.8 p -151.74 139.63 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.32 111.105 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.94 112.66 25.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 71.31 111.069 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -153.75 132.77 12.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 70.34 110.876 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -95.92 160.79 14.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.531 -1.213 . . . . 65.15 110.983 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.94 163.61 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.834 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 54.77 43.55 29.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.04 110.876 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.65 -46.14 86.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.061 -0.518 . . . . 72.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -101.53 152.5 20.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 63.22 110.925 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.23 140.97 51.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.96 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 HG22 HG21 ' B' ' 6' ' ' THR . 48.4 t -105.89 138.5 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 73.41 111.165 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 39' ' ' LEU . 42.8 t -89.33 147.04 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 72.1 111.072 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.29 -55.6 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 74.21 110.921 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.77 164.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 64.24 110.936 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -72.19 146.68 11.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 71.4 111.121 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.8 mp -117.7 -50.58 2.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.902 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -147.82 164.11 34.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.908 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -131.01 146.49 52.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.823 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -155.73 170.66 21.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 73.33 110.857 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.1 ttt -138.82 132.64 30.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 71.54 110.867 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.99 137.54 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 73.42 111.108 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt 56.08 46.6 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.04 110.869 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.64 26.35 59.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 43.32 112.484 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -134.29 126.27 29.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.836 0.351 . . . . 73.44 110.933 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.2 p -87.25 128.15 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 72.44 111.089 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -119.76 153.56 35.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 62.33 110.977 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -128.86 142.92 50.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.921 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.604 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -80.85 113.3 18.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 53.5 110.96 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 57.6 mt -112.67 126.78 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 72.41 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -86.33 107.15 17.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.843 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -83.54 157.15 22.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.911 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -54.34 121.0 7.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.271 -0.422 . . . . 74.24 110.9 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.35 -30.87 6.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.772 -0.728 . . . . 75.12 112.459 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -91.1 144.84 25.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 74.22 110.935 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -121.75 175.82 6.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 62.51 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -55.44 -23.29 24.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.122 -0.49 . . . . 70.42 110.859 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -53.34 -41.49 65.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 54.24 110.927 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -73.47 -20.09 60.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 63.44 110.806 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.8 m120 50.18 66.14 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 74.34 110.942 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.604 ' O ' HD22 ' A' ' 38' ' ' LEU . 9.5 p -92.73 131.26 37.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 43.3 111.193 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 71.9 m95 -118.14 150.52 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 71.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.518 ' HB2' HD12 ' A' ' 39' ' ' LEU . 7.5 mm-40 -131.35 148.14 68.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.641 0.734 . . . . 62.54 110.882 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.514 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.81 148.05 63.86 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.759 2.306 . . . . 73.03 112.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.16 -40.86 74.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.89 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -54.31 -49.11 70.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.869 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.483 HD21 HG23 ' B' ' 11' ' ' THR . 2.3 m120 -72.84 -29.52 63.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.874 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -54.75 100.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 74.04 110.925 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.15 52.87 0.77 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.155 -0.475 . . . . 52.14 110.9 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.3 m -158.99 80.06 2.82 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.576 0.703 . . . . 64.51 110.887 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -45.52 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.725 2.283 . . . . 73.02 112.386 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.6 pt-20 -48.81 -38.76 23.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.899 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.49 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -54.45 -43.2 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 70.33 110.976 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.492 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.6 mp -68.91 -41.8 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 54.31 111.11 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -51.42 -50.17 60.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.846 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.99 -42.44 57.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 71.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -53.92 -44.57 70.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 65.13 110.818 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ttm -56.22 -36.62 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.22 110.895 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -56.01 -52.68 63.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 72.1 110.95 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -60.67 -51.52 69.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.907 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -55.58 -42.29 74.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.904 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 tttt -50.58 -51.95 43.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 60.41 110.895 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -59.92 -46.57 88.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 70.42 110.89 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 4.0 tpt -55.4 -53.66 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.52 110.945 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -76.11 155.8 34.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.883 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.05 119.16 30.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.1 110.871 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.44 -132.77 3.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 53.02 112.517 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -130.5 143.87 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.826 0.346 . . . . 64.2 110.895 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -164.95 150.82 9.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 51.02 110.866 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -135.55 141.26 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.933 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 51.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.942 179.864 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.837 0.351 . . . . 72.33 111.091 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -106.83 126.79 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.21 110.864 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -82.36 152.54 26.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 70.14 111.102 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -130.76 161.84 30.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.12 110.917 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.06 136.75 58.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 63.14 110.922 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.442 HG21 HG22 ' A' ' 21' ' ' VAL . 4.1 m -155.6 155.09 32.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.14 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -156.44 148.21 22.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 61.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.94 156.91 19.75 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-N 116.191 -0.459 . . . . 75.13 110.882 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.342 0 N-CA-C 108.902 -0.777 . . . . 70.01 108.902 -136.12 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 154.06 29.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.986 0.422 . . . . 65.22 110.865 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 56' ' ' ASN . 38.5 p -59.35 -53.27 60.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 64.13 111.106 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.31 136.27 13.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 70.52 112.455 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 129.6 21.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.673 -0.775 . . . . 64.04 112.515 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.27 123.09 30.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 73.43 110.881 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -95.34 160.18 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.546 0.689 . . . . 70.11 111.101 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 53.9 Cg_endo -69.76 -47.99 0.81 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.707 2.271 . . . . 61.34 112.399 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -118.06 137.04 53.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.847 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.932 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.448 -0.261 . . . . 62.11 112.448 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.9 t -72.63 130.92 41.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.895 0.379 . . . . 62.4 110.864 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -144.48 151.76 39.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 74.42 110.811 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.2 ttp 54.15 54.96 8.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 63.53 110.853 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.67 69.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 70.31 112.5 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -88.8 148.95 23.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.867 0.365 . . . . 55.34 110.842 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -111.6 111.27 22.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.33 110.966 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.8 p -138.3 155.74 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 72.22 111.134 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -165.29 107.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 73.53 110.924 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -104.4 140.65 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.51 110.843 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.3 p -140.24 131.58 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.259 -0.428 . . . . 64.24 111.117 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -153.73 129.68 10.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 60.12 111.121 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -162.07 128.74 3.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 70.32 110.892 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.26 135.75 52.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.553 -1.203 . . . . 73.3 110.789 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -107.82 148.54 29.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 61.35 110.825 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -102.67 107.07 17.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 53.41 110.841 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -156.27 99.25 1.91 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 63.24 110.865 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -150.07 145.88 26.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 75.31 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -107.96 133.76 51.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.957 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.493 HG22 ' CG2' ' B' ' 6' ' ' THR . 58.4 t -106.19 140.89 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 74.22 111.094 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.595 HG21 HD22 ' A' ' 39' ' ' LEU . 12.6 p -92.18 134.63 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 65.22 111.093 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -82.33 -58.33 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.04 110.898 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 165.09 1.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 74.02 110.9 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 62' ' ' LEU . 94.8 t -62.44 115.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 65.14 111.194 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.662 HD22 HD12 ' A' ' 38' ' ' LEU . 9.2 mp -86.35 -51.15 6.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.871 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -151.71 172.18 16.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 60.4 110.856 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -134.87 128.46 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 64.51 110.899 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -140.1 168.61 19.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.183 -0.462 . . . . 64.41 110.843 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 7.4 ttt -138.41 133.03 32.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.908 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.8 m -145.74 136.91 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.13 111.101 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 54.99 45.56 26.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.944 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.39 27.41 63.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 73.44 112.509 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -129.35 126.51 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 64.52 110.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 HG12 ' CE1' ' A' ' 37' ' ' TYR . 28.7 t -85.09 118.88 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.144 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.26 157.18 24.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 70.12 110.903 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE1' HG12 ' A' ' 35' ' ' VAL . 27.4 m-85 -133.79 136.97 44.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.13 110.886 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD12 HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -76.9 106.27 8.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 45.0 110.921 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.702 HD21 HD11 ' A' ' 57' ' ' LEU . 46.9 mt -107.14 129.14 54.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.435 . . . . 54.01 110.865 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -84.08 107.02 16.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.458 . . . . 74.2 110.859 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -90.46 158.31 17.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 71.12 110.919 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HD2' HG23 ' A' ' 21' ' ' VAL . 47.0 mtpt -49.7 133.52 21.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.879 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.82 26.82 69.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 11.43 112.488 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -142.52 132.35 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.392 . . . . 72.32 110.898 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 m -122.76 -177.68 3.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 72.21 110.891 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.532 ' CG ' HD23 ' A' ' 26' ' ' LEU . 21.0 mt-10 -53.96 -25.39 20.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 62.53 110.897 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -52.54 -34.2 49.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 74.22 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -87.39 -21.81 25.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 71.1 110.878 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.5 m120 48.17 67.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 73.45 110.916 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.662 ' O ' HD22 ' A' ' 38' ' ' LEU . 11.0 p -91.73 130.41 37.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 74.31 111.1 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.659 ' CE2' HD23 ' A' ' 38' ' ' LEU . 91.5 m95 -116.82 150.88 37.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.22 -0.446 . . . . 71.15 110.945 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 39' ' ' LEU . 1.6 mt-10 -131.94 146.75 63.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.694 0.759 . . . . 72.41 110.85 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.75 145.92 58.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 63.51 112.34 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.88 -38.32 67.38 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 70.03 110.931 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -56.4 -49.04 75.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 70.42 110.841 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -71.29 -29.67 65.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.43 110.831 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.702 HD11 HD21 ' A' ' 39' ' ' LEU . 2.1 mm? -55.3 100.43 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.274 -0.421 . . . . 75.32 110.897 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -104.56 51.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 61.3 110.812 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.464 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.4 m -157.22 78.19 3.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.648 0.737 . . . . 61.12 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -44.04 2.33 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.656 2.238 . . . . 72.23 112.332 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.3 pt-20 -48.58 -38.27 20.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.899 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.623 ' HB3' HG23 ' A' ' 25' ' ' VAL . 4.1 mm? -56.9 -42.82 80.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 73.35 110.861 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 63' ' ' ILE . 4.6 mp -70.88 -37.16 67.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 51.42 111.135 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.7 m -51.0 -50.81 57.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 65.42 110.885 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.33 -41.74 47.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 54.54 110.856 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -54.24 -40.88 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 63.5 110.896 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 36.9 mtp -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.938 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -57.71 -52.81 63.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 64.21 110.875 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -69.73 -51.8 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 63.24 110.916 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -52.1 -43.11 63.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 72.24 110.915 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -49.92 -51.56 39.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 62.34 110.961 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -45.47 91.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.05 110.956 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -54.75 40.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 72.35 110.825 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -73.29 134.59 44.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -99.98 125.04 45.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.873 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 155.86 132.17 1.51 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.793 -0.718 . . . . 74.25 112.517 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 56.47 97.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.842 0.353 . . . . 63.21 110.843 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.85 121.73 21.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.898 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -74.94 106.8 6.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.952 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.5 tttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.948 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.731 0.3 . . . . 54.15 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -102.12 151.81 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 63.13 110.824 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.1 p -107.06 108.32 19.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.135 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -136.84 113.89 10.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 75.42 110.866 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.43 110.81 8.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.25 110.97 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.493 ' CG2' HG22 ' A' ' 21' ' ' VAL . 3.9 m -118.09 158.26 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 73.21 111.096 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -162.81 154.99 18.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 41.43 111.081 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.421 ' HG2' ' H ' ' B' ' 9' ' ' M3L . 27.8 ttt180 -77.96 165.81 23.61 Favored 'General case' 0 C--O 1.244 0.765 0 CA-C-N 116.115 -0.493 . . . . 74.21 110.912 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . 0.421 ' H ' ' HG2' ' B' ' 8' ' ' ARG . . . . . . . . 0 N--CA 1.506 2.34 0 N-CA-C 108.942 -0.762 . . . . 75.51 108.942 -136.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.0 p -155.44 142.89 19.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 70.21 110.9 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.418 HG23 ' N ' ' B' ' 12' ' ' GLY . 5.6 t -59.4 -42.83 92.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 74.51 111.111 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.418 ' N ' HG23 ' B' ' 11' ' ' THR . . . -114.87 108.34 1.94 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 72.22 112.428 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.21 152.23 23.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 64.31 112.514 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 tttp -132.56 114.89 14.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 63.12 110.846 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.575 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -106.32 160.38 26.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 65.25 111.099 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.575 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.72 -47.95 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.66 2.24 . . . . 72.54 112.363 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -109.09 117.7 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 72.13 110.88 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 61.54 110.898 -179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.551 -0.219 . . . . 51.52 112.551 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 23.3 t -99.46 -53.62 3.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 61.12 110.806 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -84.18 131.26 34.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 73.54 110.847 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtp -105.14 -53.6 2.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.856 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -152.2 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.763 -0.732 . . . . 41.5 112.529 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -73.13 150.58 42.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.846 0.355 . . . . 72.24 110.834 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 120.04 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 74.22 110.958 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -130.94 154.77 47.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 50.24 111.179 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -145.02 149.43 35.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.31 110.936 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -137.06 153.82 50.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.83 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.9 p -125.63 140.31 52.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 72.51 111.131 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.83 110.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 51.11 111.087 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -158.1 147.21 19.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 53.2 110.851 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -154.99 154.97 33.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.509 -1.223 . . . . 64.33 110.859 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -68.43 168.61 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 64.32 110.907 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.69 107.6 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -109.42 -52.14 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 43.25 110.912 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.622 ' HG2' HG22 ' B' ' 6' ' ' THR . 22.8 tt0 -78.99 149.67 32.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.42 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -116.66 149.94 38.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.23 110.928 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -105.71 140.91 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 64.32 111.163 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 HD22 ' A' ' 39' ' ' LEU . 58.7 t -90.33 146.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 60.41 111.118 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.77 -55.32 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.856 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.3 164.32 3.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 60.23 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 62' ' ' LEU . 61.5 t -70.26 143.73 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.29 -0.414 . . . . 60.52 111.19 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 38' ' ' LEU . 32.5 mt -116.39 -48.21 2.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.913 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -153.45 170.17 21.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 70.2 110.868 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -135.02 147.12 49.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 73.14 110.899 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -164.3 151.28 11.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.5 ttt -118.02 134.85 54.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.8 m -142.93 137.1 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 74.42 111.157 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? 54.94 45.25 26.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 74.44 110.918 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.43 63.25 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 74.5 112.542 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -132.48 126.57 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 62.33 110.908 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 37' ' ' TYR . 40.6 t -80.92 127.1 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 72.42 111.12 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -123.03 149.1 44.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 65.12 110.942 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CE2' HG12 ' A' ' 35' ' ' VAL . 59.5 m-85 -128.48 134.49 48.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 73.43 110.968 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 HD12 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -77.02 106.97 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 75.44 110.851 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD12 ' CB ' ' A' ' 52' ' ' GLU . 54.9 mt -108.85 139.8 43.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 72.43 110.962 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -93.46 107.5 19.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.909 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -79.52 157.0 27.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 75.42 110.905 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -54.21 119.44 5.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 75.54 110.959 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.0 -30.85 6.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 73.11 112.491 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -88.27 146.85 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 75.45 110.957 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.1 m -121.87 174.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 64.25 110.855 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.17 -23.63 22.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 72.31 110.873 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -53.43 -40.85 65.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 72.45 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -73.36 -19.81 60.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.875 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.1 m120 50.59 66.2 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.12 110.918 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.586 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.7 p -93.09 131.32 38.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.21 111.128 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CE2' HD23 ' A' ' 38' ' ' LEU . 86.5 m95 -111.58 149.8 30.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.234 -0.439 . . . . 71.22 110.959 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.555 ' CB ' HD12 ' A' ' 39' ' ' LEU . 2.7 tp10 -131.48 135.36 26.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 73.35 110.884 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.2 Cg_endo -69.8 152.87 69.2 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.268 . . . . 75.04 112.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -51.18 -44.5 61.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.966 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -51.92 -48.38 64.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 73.22 110.888 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -73.6 -29.61 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.91 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD11 HD21 ' A' ' 39' ' ' LEU . 2.2 mm? -57.35 102.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 71.33 110.902 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.51 49.95 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 74.13 110.887 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.469 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.2 m -161.57 81.33 1.95 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.642 0.734 . . . . 72.44 110.922 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -45.44 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.725 2.284 . . . . 73.44 112.327 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG3' HD22 ' A' ' 62' ' ' LEU . 11.7 pt-20 -48.77 -38.57 22.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.875 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 59' ' ' CYS . 3.8 mm? -55.04 -42.68 72.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 53.55 110.876 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.3 mp -67.96 -47.23 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.125 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -51.83 -47.27 64.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 55.45 110.856 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -72.8 -44.03 62.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.13 110.871 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -52.68 -43.18 65.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.41 110.891 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.1 mtt -57.26 -37.31 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.071 -0.513 . . . . 63.23 110.858 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -58.13 -51.72 68.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.874 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -50.16 64.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 72.21 110.889 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -53.1 -43.96 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 72.44 110.928 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -50.07 -52.57 33.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 63.44 110.927 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -56.72 -42.06 78.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.849 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 8.7 ttp -53.97 -53.71 49.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 72.41 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -82.29 165.34 20.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.937 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.79 -45.34 90.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 72.24 110.904 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.24 158.33 22.01 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.697 -0.763 . . . . 53.22 112.541 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.42 156.88 45.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 52.24 110.887 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -59.26 112.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -142.9 153.4 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 63.43 110.843 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.901 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.827 0.346 . . . . 74.51 111.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -155.14 121.47 5.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 64.5 110.844 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -149.61 142.29 24.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 40.45 111.125 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -164.83 119.54 1.35 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.895 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -81.91 150.56 27.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.4 110.901 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.622 HG22 ' HG2' ' A' ' 19' ' ' GLU . 4.2 m -161.05 142.22 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 54.22 111.178 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -147.34 147.3 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -101.46 147.67 26.09 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.096 0.474 . . . . 74.3 110.879 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.373 0 N-CA-C 108.956 -0.757 . . . . 73.11 108.956 -136.164 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 26.3 t -156.39 114.75 3.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 65.33 110.873 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -60.01 132.19 53.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 51.15 111.099 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.77 -55.0 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.682 -0.771 . . . . 71.33 112.512 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.33 80.24 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 54.32 112.499 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 39.1 tptt 53.94 54.98 8.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 71.32 110.96 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . 61.74 160.89 0.11 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 72.33 111.001 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.4 Cg_endo -69.76 148.91 66.09 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.619 2.212 . . . . 71.03 112.389 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -134.28 120.86 20.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.04 110.892 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 47.9 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 64.44 110.928 -179.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.496 -0.242 . . . . 71.52 112.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 36.1 t -154.71 113.02 3.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 65.04 110.91 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -137.79 120.32 16.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 72.52 110.874 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp -91.61 -53.59 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 65.11 110.823 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.58 72.06 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 23.42 112.525 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -73.96 115.65 13.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 75.31 110.867 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.7 mmtm -133.1 113.51 12.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 70.45 110.917 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -158.16 116.62 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 53.12 111.191 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -128.86 122.99 31.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.898 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.69 149.43 4.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.822 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -165.47 127.1 1.99 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.138 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.05 130.11 3.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 63.35 111.083 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -150.89 111.3 4.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.91 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.93 146.44 29.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.484 -1.235 . . . . 70.11 110.893 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.31 153.2 22.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 62.34 110.824 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -81.71 129.51 34.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.886 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -124.11 95.99 4.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.879 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HG2' HG22 ' B' ' 6' ' ' THR . 7.1 tt0 -92.04 143.92 25.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 71.44 110.835 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -127.21 145.59 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 61.45 110.956 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.73 146.37 12.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 70.31 111.118 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.635 HG11 HD22 ' A' ' 39' ' ' LEU . 40.3 t -87.5 150.14 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.42 111.136 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -100.47 -56.03 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.908 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -174.95 164.54 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 75.14 110.866 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 62' ' ' LEU . 62.1 t -73.21 129.22 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 55.14 111.11 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.3 mp -99.24 -50.89 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.943 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -150.77 169.81 20.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.25 110.848 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -137.27 143.53 42.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.923 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -151.44 171.84 16.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.884 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.3 ttt -138.81 131.66 29.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 70.44 110.871 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.0 m -145.86 137.49 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 70.52 111.219 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp 56.14 46.57 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.71 26.53 60.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.665 -0.779 . . . . 71.15 112.543 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -134.74 126.33 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.353 . . . . 74.2 110.922 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.7 p -88.57 128.93 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 63.54 111.041 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -120.05 155.4 32.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 74.43 110.901 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -129.44 142.56 50.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.878 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -82.31 109.69 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 65.53 110.876 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.635 HD22 HG11 ' A' ' 22' ' ' VAL . 57.1 mt -108.82 120.76 43.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.04 110.89 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -80.08 110.57 15.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.908 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -83.75 157.38 22.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 75.53 110.923 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -54.84 131.75 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 63.03 110.897 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.45 26.49 74.48 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.778 -0.725 . . . . 54.24 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -140.69 148.7 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.807 0.336 . . . . 63.42 110.886 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -121.77 174.78 6.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.873 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -58.32 -19.49 35.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 73.55 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.62 -39.77 65.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.879 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -72.94 -20.83 60.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 75.31 110.844 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 48.47 66.62 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.23 110.882 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.622 ' O ' HD22 ' A' ' 38' ' ' LEU . 14.5 p -92.97 130.13 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.115 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE2' HD23 ' A' ' 38' ' ' LEU . 74.5 m95 -119.44 146.96 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.902 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 39' ' ' LEU . 32.0 mm-40 -131.63 146.62 62.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 73.41 110.825 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.522 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.9 Cg_endo -69.74 158.33 57.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.729 2.286 . . . . 73.2 112.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -57.53 -45.88 84.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 54.43 110.859 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -51.86 -43.88 63.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 65.33 110.887 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -77.0 -29.39 55.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 65.52 110.879 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.574 HD11 HD21 ' A' ' 39' ' ' LEU . 1.6 mm? -56.09 100.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.909 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -102.47 53.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 45.02 110.861 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 62' ' ' LEU . 11.8 p -165.85 75.56 1.27 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.669 0.747 . . . . 73.13 110.876 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.587 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.3 Cg_endo -69.8 -43.88 2.37 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 74.33 112.319 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' HG3' HD22 ' A' ' 62' ' ' LEU . 8.4 pt-20 -48.66 -40.49 28.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.53 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.1 mm? -54.09 -42.38 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 72.43 110.98 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.5 mp -63.6 -43.51 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 62.51 111.178 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 26.7 t -51.52 -51.19 57.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 75.33 110.861 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -74.3 -42.37 59.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 70.54 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -53.27 -45.24 68.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 72.1 110.927 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.62 -37.34 68.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 64.25 110.894 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -57.04 -52.47 65.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 74.31 110.908 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -51.41 68.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 75.31 110.875 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.3 -42.28 73.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -50.53 -43.51 55.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 64.52 110.928 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -74.48 -44.59 50.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 72.54 110.845 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.9 mmt -55.0 -55.52 29.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 72.12 110.854 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.3 mmtp -99.74 127.66 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 71.01 110.932 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.84 107.75 4.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 74.41 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.59 157.99 19.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.786 -0.721 . . . . 53.03 112.483 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.84 122.99 22.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 73.32 110.886 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.12 153.02 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 72.4 110.936 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -125.38 152.3 44.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 64.22 110.888 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 71.05 110.924 179.82 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.785 0.326 . . . . 51.54 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -131.57 111.74 12.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 62.44 110.854 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.3 m -149.01 132.21 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.21 111.118 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -88.07 128.34 35.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.927 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -119.04 112.31 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 64.22 110.954 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.483 HG22 ' HG2' ' A' ' 19' ' ' GLU . 1.6 m -132.18 153.52 50.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.24 111.117 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.63 147.28 18.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 73.41 111.117 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -79.45 142.99 35.38 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 121.114 0.483 . . . . 73.24 110.819 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.507 2.382 0 N-CA-C 108.873 -0.788 . . . . 74.21 108.873 -136.133 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 7.2 p -157.18 117.19 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.378 . . . . 74.45 110.867 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.9 p -59.44 -53.01 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.21 111.11 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.43 134.55 3.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.802 -0.713 . . . . 64.53 112.523 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.23 128.87 46.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.77 -0.729 . . . . 54.31 112.46 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -64.64 135.5 55.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.703 0.287 . . . . 72.42 110.921 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -130.62 160.36 66.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.614 0.721 . . . . 62.32 111.067 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.4 Cg_endo -69.72 -48.04 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.732 2.288 . . . . 60.42 112.382 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -71.41 133.91 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.906 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 45.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 61.42 110.931 -179.839 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.493 -0.243 . . . . 40.23 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 41.8 t -102.54 -54.34 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.939 0.399 . . . . 55.02 110.869 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 55.0 96.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.099 -0.501 . . . . 74.5 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttm -169.36 148.38 3.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 41.34 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.41 54.63 5.47 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.506 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -90.66 155.47 18.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.863 0.363 . . . . 65.23 110.883 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -58.27 125.54 23.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 75.42 110.878 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -71.08 157.04 38.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 75.33 111.104 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 mtmm -136.79 122.56 19.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.857 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -109.28 147.45 32.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 71.33 110.849 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 p -108.25 140.34 41.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 65.24 111.231 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.11 105.43 5.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 54.12 111.108 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -59.95 119.8 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.24 110.83 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -76.35 152.06 36.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.502 -1.227 . . . . 63.32 110.917 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -111.68 120.13 40.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.909 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -81.31 153.3 27.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 70.51 110.948 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -132.15 39.78 3.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 74.01 110.96 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.582 ' HG2' HG22 ' B' ' 6' ' ' THR . 11.1 tt0 -98.71 119.37 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 74.12 110.865 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.409 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . 10.8 m-85 -102.82 145.08 30.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.856 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 t -105.62 140.43 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.498 . . . . 75.53 111.143 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.3 t -94.23 145.97 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 54.35 111.066 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 -56.87 2.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 64.04 110.924 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.7 165.78 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 62.41 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.441 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.2 t -67.24 139.89 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 71.45 111.175 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.48 HD11 ' HD2' ' A' ' 40' ' ' LYS . 7.2 mp -109.25 -47.58 3.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 74.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -153.78 172.35 17.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 72.21 110.867 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -138.38 145.46 41.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 71.35 110.936 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -155.42 147.91 23.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 74.12 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 3.8 ttt -129.48 127.15 40.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 63.15 110.937 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.0 m -145.91 137.94 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 63.24 111.153 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp 58.46 46.66 14.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.883 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.6 26.56 60.03 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.21 112.491 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -131.71 126.13 33.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 65.21 110.917 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' A' ' 54' ' ' GLU . 14.5 p -99.75 133.23 43.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 60.31 111.158 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -130.06 156.31 44.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -129.53 135.92 49.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 74.23 110.907 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -77.36 109.83 11.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 52.1 110.884 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 52' ' ' GLU . 39.3 mt -116.25 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.888 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.48 ' HD2' HD11 ' A' ' 26' ' ' LEU . 13.1 ptmm? -95.29 125.99 40.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 71.52 110.942 179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 79.9 m95 -94.06 158.57 15.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 75.2 110.901 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -51.06 114.35 1.16 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 72.21 110.899 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.59 -30.87 8.84 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.635 -0.793 . . . . 72.34 112.497 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -89.69 147.14 24.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.874 0.369 . . . . 73.13 110.922 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -121.68 175.38 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 51.53 110.852 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.09 -20.41 39.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.32 -40.56 64.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.03 110.908 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -73.65 -19.82 60.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 36.2 m120 51.01 65.66 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 73.04 110.949 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.589 ' O ' HD22 ' A' ' 38' ' ' LEU . 41.5 p -93.61 132.08 38.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 70.35 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CE2' HD23 ' A' ' 38' ' ' LEU . 77.4 m95 -114.92 148.93 38.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 64.03 110.932 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HB2' HD12 ' A' ' 39' ' ' LEU . 15.2 mm-40 -127.06 145.02 52.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.664 0.745 . . . . 71.24 110.841 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.6 Cg_endo -69.8 145.47 56.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 74.44 112.324 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' HB2' HG13 ' A' ' 35' ' ' VAL . 6.2 tm-20 -54.4 -39.49 67.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 74.14 110.832 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 70.1 tttt -55.42 -49.0 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -72.53 -29.26 63.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 110.872 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 39' ' ' LEU . 1.6 mm? -54.16 100.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.853 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.11 56.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 61.5 110.86 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.483 ' HB3' HD23 ' A' ' 62' ' ' LEU . 1.1 m -162.79 81.49 1.64 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.604 0.716 . . . . 35.12 110.853 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -47.65 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.234 . . . . 74.14 112.366 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HG3' HD22 ' A' ' 62' ' ' LEU . 10.9 pt-20 -49.1 -35.87 17.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.852 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.483 HD23 ' HB3' ' A' ' 59' ' ' CYS . 4.0 mm? -56.61 -43.17 79.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.907 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.485 HD12 ' H ' ' A' ' 63' ' ' ILE . 4.2 mp -65.55 -47.42 86.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 75.23 111.129 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -53.29 -47.01 69.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.861 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -73.35 -41.87 62.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.31 110.933 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -52.45 -45.41 66.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 74.53 110.903 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 33.8 mtt -56.24 -39.23 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.073 -0.512 . . . . 73.41 110.85 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? -56.29 -52.79 63.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 52.45 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -62.04 -51.03 69.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 75.51 110.978 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -55.3 -41.12 71.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 72.31 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.8 -46.05 59.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.918 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -67.62 -48.38 66.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.926 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.5 mmt -55.58 -55.8 27.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 74.25 110.851 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -112.67 125.43 54.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 61.55 110.826 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -80.19 122.61 27.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 70.41 110.896 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 165.85 135.91 1.92 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 63.22 112.499 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.02 141.65 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 75.13 110.906 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -116.97 103.18 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 t30 60.35 102.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 70.24 110.854 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 52.42 110.912 179.923 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 65.03 111.077 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtt85 -93.58 133.13 37.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 74.42 110.822 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -125.19 133.77 52.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 73.32 111.154 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.39 108.75 17.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 71.43 110.889 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.96 106.33 17.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.42 110.941 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.582 HG22 ' HG2' ' A' ' 19' ' ' GLU . 2.7 m -131.54 147.09 52.51 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.193 -0.458 . . . . 60.23 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.02 124.14 3.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 41.3 111.107 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt85 -63.57 159.79 18.02 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-N 116.232 -0.44 . . . . 52.1 110.839 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.371 0 N-CA-C 108.865 -0.791 . . . . 74.54 108.865 -136.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.6 p -154.31 139.73 17.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.988 0.423 . . . . 72.45 110.824 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 38.5 p -125.53 158.13 35.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 73.1 111.169 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.8 156.3 31.87 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.662 -0.78 . . . . 34.34 112.488 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.27 -136.13 16.19 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 72.24 112.504 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -139.95 138.05 35.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 60.15 110.872 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -155.51 160.36 30.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.568 0.699 . . . . 72.04 111.104 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.3 Cg_endo -69.7 153.57 69.04 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.708 2.272 . . . . 60.12 112.35 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -93.57 -53.49 4.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 64.54 110.867 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 34.1 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 53.32 110.947 -179.82 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.463 -0.255 . . . . 52.4 112.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.0 t -72.45 -53.52 11.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 73.41 110.817 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -62.7 153.51 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 72.53 110.785 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 54.14 54.96 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 75.02 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.21 61.54 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.707 -0.758 . . . . 74.23 112.457 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -101.46 152.68 20.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.866 0.365 . . . . 70.42 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -98.64 139.21 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 74.13 110.894 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -108.34 154.82 21.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 70.13 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.39 139.24 45.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 61.23 110.859 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtt-85 -153.53 151.44 29.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.841 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.0 p -150.69 139.29 20.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 73.12 111.166 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -108.04 115.73 30.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 73.32 111.168 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -111.95 147.54 35.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 74.51 110.862 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.14 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.552 -1.203 . . . . 74.12 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.95 159.61 24.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 72.34 110.835 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -59.35 146.21 40.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.884 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -164.83 104.94 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 75.12 110.926 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -133.07 148.45 52.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.857 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -126.34 143.35 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 73.4 110.861 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' B' ' 6' ' ' THR . 41.6 t -101.94 144.47 13.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 73.3 111.16 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 39' ' ' LEU . 14.9 p -88.13 149.51 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 63.43 111.118 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -102.15 -54.98 2.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 74.34 110.882 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -176.08 164.43 2.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 65.51 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' HB3' ' A' ' 62' ' ' LEU . 59.6 t -72.9 146.42 10.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 74.13 111.101 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 40' ' ' LYS . 8.8 mp -116.98 -51.38 2.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 70.42 110.907 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -149.67 168.56 23.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 63.24 110.919 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp-105 -127.14 145.25 50.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.86 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -160.03 149.32 17.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.839 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 5.7 ttt -127.48 138.1 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 70.34 110.911 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.6 m -145.8 137.44 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.41 111.117 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 57.41 45.21 20.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 73.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.4 27.55 63.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.722 -0.752 . . . . 53.01 112.475 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -130.55 126.45 36.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 70.15 110.963 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG12 ' CE1' ' A' ' 37' ' ' TYR . 40.5 t -82.96 136.55 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 45.01 111.128 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -135.13 147.92 49.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.15 110.867 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' HG12 ' A' ' 35' ' ' VAL . 45.8 m-85 -127.41 137.81 52.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.896 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 50' ' ' THR . 0.2 OUTLIER -77.18 107.13 9.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 62.31 110.854 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 22' ' ' VAL . 37.5 mt -107.72 134.13 51.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.968 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' HD2' HD21 ' A' ' 26' ' ' LEU . 21.8 mtpt -91.72 115.78 28.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 74.04 110.832 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 m95 -84.14 157.06 21.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.921 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -54.77 117.42 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.966 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.58 -30.83 6.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 71.53 112.441 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -83.69 150.59 25.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 75.24 110.905 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.4 m -122.03 174.29 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 71.04 110.841 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.18 -20.38 40.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 63.41 110.851 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -53.68 -39.66 65.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.845 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -73.3 -20.29 60.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 73.35 110.885 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 50.04 66.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 60.11 110.856 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.609 ' O ' HD22 ' A' ' 38' ' ' LEU . 15.8 p -92.45 131.66 37.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 64.34 111.133 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CE2' HD23 ' A' ' 38' ' ' LEU . 88.8 m95 -116.21 147.58 41.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.905 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.541 ' CB ' HD12 ' A' ' 39' ' ' LEU . 22.4 tt0 -131.54 136.43 28.52 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.747 . . . . 73.12 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' O ' HD23 ' A' ' 57' ' ' LEU . 53.5 Cg_endo -69.76 151.93 69.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.735 2.29 . . . . 54.33 112.357 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -51.77 -46.39 64.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 73.21 110.928 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -51.37 -29.59 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.922 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -91.8 -29.77 16.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.25 110.901 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD11 HD21 ' A' ' 39' ' ' LEU . 3.8 mm? -58.16 103.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 72.03 110.906 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -106.26 48.61 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.24 110.891 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.569 ' HB2' HD23 ' A' ' 62' ' ' LEU . 9.7 p -165.72 81.98 1.1 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.646 0.736 . . . . 63.11 110.89 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.565 ' HA ' HD13 ' A' ' 63' ' ' ILE . 53.2 Cg_endo -69.83 -38.68 7.31 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.67 2.247 . . . . 71.4 112.355 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.416 ' HG3' HD22 ' A' ' 62' ' ' LEU . 5.7 pt-20 -48.79 -42.18 35.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 73.22 110.864 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 59' ' ' CYS . 4.2 mm? -55.29 -40.09 70.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 71.2 110.948 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 60' ' ' PRO . 4.4 mp -69.91 -43.79 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 73.22 111.12 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 32.1 t -51.49 -51.27 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.836 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -71.07 -40.21 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 62.34 110.902 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -52.56 -44.14 65.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 73.12 110.885 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 mtt -58.62 -36.05 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 64.45 110.849 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.8 mmtt -63.63 -52.68 59.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 75.5 110.856 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -64.68 -51.29 63.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.903 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -55.18 -42.44 73.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 73.13 110.99 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 mttt -50.15 -51.37 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 70.53 110.877 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -61.61 -45.0 95.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.854 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.2 mtp -53.43 -55.3 26.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 74.22 110.896 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -82.99 167.93 17.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 70.21 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -134.47 114.93 13.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.875 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.16 -134.4 2.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 60.02 112.517 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -89.3 117.51 28.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 74.33 110.81 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -77.35 145.65 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 73.41 110.92 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -104.04 147.65 27.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.1 110.844 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.874 179.862 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 70.52 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -134.89 146.82 49.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 71.25 110.807 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -139.22 146.55 40.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 62.21 111.109 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -104.91 107.28 18.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.854 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -122.21 106.59 11.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 65.11 110.949 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.437 HG23 ' HA ' ' A' ' 21' ' ' VAL . 4.1 m -120.62 157.57 29.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 53.34 111.182 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.4 154.44 14.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.057 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -75.21 165.19 25.59 Favored 'General case' 0 C--O 1.244 0.794 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.954 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.506 2.325 0 N-CA-C 108.939 -0.763 . . . . 70.1 108.939 -136.15 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 44.6 t -154.81 109.05 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.971 0.415 . . . . 72.52 110.893 -178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 m -102.72 134.3 46.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 63.01 111.142 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.57 -155.01 1.43 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.814 -0.708 . . . . 75.14 112.478 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.03 -73.86 0.89 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.749 . . . . 62.51 112.533 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -108.37 -53.62 2.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.328 . . . . 72.5 110.87 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' B' ' 16' ' ' PRO . . . -71.76 160.38 82.8 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.532 0.682 . . . . 74.43 111.122 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' B' ' 15' ' ' ALA . 54.5 Cg_endo -69.73 163.91 36.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.689 2.26 . . . . 44.13 112.334 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -132.28 119.9 21.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 73.45 110.881 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 64.04 110.919 -179.85 . . . . . . . . 0 0 . 1 stop_ save_